data_2ro9_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 2ro9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -57.6 -41.06 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -62.66 -38.69 91.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.34 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.064 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.987 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' NZ ' ' OH ' ' A' ' 138' ' ' TYR . 60.8 mttp -63.58 -33.38 75.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.479 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.83 -43.78 95.18 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.343 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.08 -45.24 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.111 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.73 -34.02 76.32 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.886 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.17 -44.17 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.075 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -65.18 -38.85 91.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.273 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 45.1 t0 -84.55 88.11 7.3 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HZ2' ' CE1' ' A' ' 107' ' ' HIS . 5.9 tppt? -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.261 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 8.9 t0 -58.73 -31.08 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.55 45.96 7.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.625 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.472 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.8 p30 -111.43 7.05 20.67 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.029 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.1 23.86 33.65 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 88.7 m-85 -147.2 147.71 30.76 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.56 125.41 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.4 154.83 20.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.108 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.19 -42.48 77.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.26 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.808 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.27 -43.71 90.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.781 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.1 tp -65.03 -37.71 88.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.631 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 76.9 ttt-85 -61.8 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.923 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.545 ' CE1' ' HZ2' ' A' ' 94' ' ' LYS . 65.1 t-80 -66.19 -41.88 89.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.24 -43.78 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.193 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 mmt -65.77 -34.93 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -65.09 -45.29 85.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.214 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -64.84 -39.38 93.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.682 0.754 . . . . 0.0 109.382 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.44 -23.0 0.81 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.88 12.63 60.26 Favored Glycine 0 N--CA 1.46 0.237 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -109.97 141.47 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.005 -1.097 . . . . 0.0 108.419 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -122.02 98.31 5.88 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.009 0.433 . . . . 0.0 111.304 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 9.0 mp -98.03 155.14 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.986 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.3 m -79.87 166.59 21.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.6 -40.02 95.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.002 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -65.18 -40.39 94.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.475 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -66.39 -43.78 84.89 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.05 -47.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.9 -49.68 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.6 -44.1 76.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.693 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.44 -41.71 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.513 0.673 . . . . 0.0 109.878 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.3 mm -67.1 -46.84 83.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.456 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -67.63 -37.06 81.94 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.02 -33.26 75.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.97 -9.0 50.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.36 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.6 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 29.6 t0 -98.41 106.13 18.37 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 122.118 0.961 . . . . 0.0 110.029 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -36.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.368 -176.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 133' ' ' ASP . 43.7 m-20 -91.97 2.26 56.66 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 56.67 -2.12 0.09 OUTLIER Glycine 0 CA--C 1.535 1.338 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.527 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 131' ' ' ASP . 40.8 p-10 -43.87 -19.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.703 0.252 . . . . 0.0 111.655 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.6 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 92.14 -0.72 72.61 Favored Glycine 0 N--CA 1.465 0.617 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.1 mm-40 -136.95 154.83 50.34 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 56.7 mt -113.7 118.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.67 170.62 14.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 56.4 t80 -59.22 -49.7 76.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.199 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 12.6 pt-20 -50.21 -48.01 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 109.961 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 38.0 tt0 -67.76 -38.17 83.1 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 14.0 t80 -60.66 -42.06 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 48.2 t -60.37 -44.66 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.686 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.47 -44.22 95.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.715 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 59.5 t -69.17 -44.23 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.021 0.439 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 30.4 mmt -66.7 -40.67 88.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.284 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.5 ttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.711 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 CA--C 1.522 -0.097 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.74 -39.53 81.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.63 -40.07 86.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.087 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -65.09 -46.99 78.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.415 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 57.8 tp -57.46 -46.15 83.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.229 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -63.26 -31.11 72.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.49 -42.67 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.235 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.36 -44.95 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.035 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -59.52 -33.05 70.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.242 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.59 -45.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.237 0.541 . . . . 0.0 109.541 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.23 -41.49 99.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.613 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.55 86.66 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.076 0.465 . . . . 0.0 112.069 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.65 -46.03 91.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.669 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -62.6 -45.2 93.97 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.22 50.23 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.885 0.741 . . . . 0.0 110.901 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -105.66 7.37 32.63 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.65 63.76 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.727 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 25.4 m-85 -124.66 158.48 33.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 110.522 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.36 127.24 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -99.78 153.23 19.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.15 -42.86 73.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.07 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.84 -41.41 97.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.88 -38.91 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.281 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' ALA . 56.3 ttp180 -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.624 ' CE1' HD22 ' A' ' 111' ' ' ASN . 66.2 t-80 -65.83 -41.88 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.916 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.86 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.067 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 7.2 mmt -63.88 -36.65 84.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.0 m -63.58 -43.92 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.083 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.624 HD22 ' CE1' ' A' ' 107' ' ' HIS . 91.6 m-20 -60.72 -35.41 76.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.824 0.821 . . . . 0.0 109.123 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.43 91.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.118 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.81 16.14 20.35 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.493 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 96.6 mt-10 -98.09 135.42 39.79 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -116.66 90.38 3.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.502 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.1 mp -94.45 153.95 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.893 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 p -82.55 169.06 16.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.745 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.26 -40.31 95.8 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.82 -40.09 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.837 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -65.55 -44.81 85.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 119.763 -0.775 . . . . 0.0 108.938 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.17 -48.38 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.089 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.84 -49.97 68.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.274 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -54.88 -44.26 73.93 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.8 -42.05 95.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.573 0.701 . . . . 0.0 110.281 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.1 mm -66.42 -45.72 88.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.003 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -67.57 -35.86 79.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.239 0.543 . . . . 0.0 109.806 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -69.07 -39.87 78.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -76.74 -20.22 56.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.528 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.35 125.25 41.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.4 m -128.84 -19.22 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.067 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.2 p-10 -77.22 -11.89 59.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 71.44 72.6 0.9 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.221 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.0 p-10 -143.15 -26.28 0.59 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.544 0.211 . . . . 0.0 111.024 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.1 6.29 86.65 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -124.36 140.78 52.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.41 112.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.713 HD21 ' H ' ' A' ' 139' ' ' GLU . 3.2 t30 -81.37 164.14 22.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.418 ' N ' ' ND2' ' A' ' 137' ' ' ASN . 62.6 t80 -53.92 -46.34 71.46 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.908 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.713 ' H ' HD21 ' A' ' 137' ' ' ASN . 16.5 pt-20 -56.77 -42.62 79.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.853 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 32.1 tt0 -69.02 -38.32 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 75.0 t80 -59.2 -40.05 84.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.54 -41.52 91.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.058 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.37 -48.36 81.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.535 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -72.31 -40.47 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 111.665 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.487 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.7 ttm -70.35 -45.85 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.3 ttm . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.577 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.32 -39.26 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 87' ' ' GLU . 83.3 tt0 -62.88 -39.32 94.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 109.955 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -64.95 -40.38 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.134 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.05 97.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.209 0.528 . . . . 0.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.75 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.448 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.553 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.05 -45.28 86.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.01 96.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.892 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -45.06 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.442 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.49 ' NH2' ' OE1' ' A' ' 96' ' ' GLN . 13.3 mmm180 -61.95 -34.71 76.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.069 0.461 . . . . 0.0 110.382 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.53 -42.23 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.483 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -61.15 -40.55 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.369 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -83.12 92.3 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.49 -47.71 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.473 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.02 -36.2 81.58 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.003 0.43 . . . . 0.0 112.121 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.49 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.67 43.77 0.23 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.591 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.76 6.0 49.53 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.712 -0.618 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 -4.85 79.8 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -127.06 159.11 35.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 100' ' ' ILE . 89.4 mt -115.12 127.08 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.22 151.42 23.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.181 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.09 52.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.57 78.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.536 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -67.23 -45.01 78.06 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.909 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.434 ' O ' ' OG1' ' A' ' 110' ' ' THR . 68.8 ttt180 -63.53 -43.06 98.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.826 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -64.24 -45.97 85.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.42 -40.62 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.31 -38.95 92.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.717 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.2 m -62.95 -41.11 99.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.953 0.406 . . . . 0.0 110.124 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.03 -31.38 71.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.673 0.749 . . . . 0.0 109.352 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -39.94 84.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.08 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.93 22.26 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 107.621 -2.192 . . . . 0.0 107.621 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.17 133.77 47.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.953 -1.123 . . . . 0.0 108.246 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -111.99 92.62 4.1 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 110.908 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 5.7 mp -89.74 147.24 23.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.945 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 118' ' ' ASP . 65.6 m -77.03 168.04 20.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.402 ' N ' ' CG2' ' A' ' 117' ' ' THR . 33.2 t70 -62.51 -40.03 95.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.94 -37.37 84.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.28 -45.23 77.21 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.27 -49.51 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.251 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.85 -49.02 76.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 110.885 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.64 -41.45 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.772 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -65.14 -42.88 93.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.485 0.659 . . . . 0.0 110.101 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 125' ' ' ILE . 21.8 mm -66.2 -44.69 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.459 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 129' ' ' ASP . 2.6 mpt_? -68.56 -34.47 75.89 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -71.02 -41.8 70.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.49 -20.67 50.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 126' ' ' ARG . 46.1 t0 -100.48 125.17 46.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -11.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.59 -12.07 56.54 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.8 -1.66 21.63 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.984 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.538 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 56.1 m-20 -42.29 -26.62 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.762 -0.258 . . . . 0.0 111.087 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.32 69.7 Favored Glycine 0 N--CA 1.466 0.687 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -140.64 159.79 41.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.21 115.06 45.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.93 167.73 18.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 65.9 t80 -56.19 -48.47 76.3 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.674 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -54.28 -45.21 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.515 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 -36.77 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 61.5 t80 -60.35 -42.69 96.24 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 54.6 t -63.68 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.803 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.4 -48.76 79.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.78 -39.55 59.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 9.7 mmt -70.28 -45.9 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.0 ttm . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.5 m . . . . . 0 CA--C 1.522 -0.098 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -57.07 -40.05 76.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.26 -37.25 86.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 109.884 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -65.73 -41.23 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.27 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.03 -44.15 97.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 0.0 109.832 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 64.9 mttm -63.83 -31.58 72.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.668 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.9 -44.31 89.99 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.31 98.22 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.485 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.73 -46.51 87.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.295 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.747 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.3 -44.36 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.262 0.553 . . . . 0.0 109.76 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -63.72 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.341 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 27.4 t0 -98.57 80.51 2.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.886 0.374 . . . . 0.0 111.978 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HZ3' ' CG ' ' A' ' 107' ' ' HIS . 60.5 pttt -60.11 -38.57 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 35.5 t0 -55.55 -23.45 26.76 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.366 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 95' ' ' ASP . 0.6 OUTLIER 61.52 31.49 18.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -98.96 -4.3 33.03 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.3 28.59 24.66 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 69.2 m-85 -152.46 132.96 13.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 100' ' ' ILE . 78.7 mt -91.43 123.1 43.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 p -108.19 158.05 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.2 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -57.16 -42.25 80.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.76 -51.01 71.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.88 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 77.2 mt-10 -65.64 -42.26 91.67 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.497 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -65.1 -37.0 86.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.188 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.6 ttp180 -63.81 -43.09 97.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.021 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 52.7 m80 -65.59 -41.49 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.7 -40.63 84.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.1 mmt -66.88 -31.49 72.12 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 17.6 p -74.88 -38.51 61.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.385 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -65.21 -38.5 90.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 122.018 0.913 . . . . 0.0 108.882 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.51 -38.25 86.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.936 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.7 19.16 9.95 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -99.96 132.8 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 113.944 -1.128 . . . . 0.0 108.082 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -117.92 91.78 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.045 0.45 . . . . 0.0 110.95 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.9 mp -99.29 150.54 22.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.91 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -82.7 172.98 12.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.707 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.82 -37.42 86.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.809 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -68.66 -39.8 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.097 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.89 -44.36 85.49 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.81 -49.29 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.142 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.21 -48.71 72.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.07 -44.81 79.29 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.9 ttp -63.94 -42.48 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.531 0.682 . . . . 0.0 110.223 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mm -68.15 -43.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.605 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.73 -34.85 79.14 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.796 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -70.6 -40.65 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.738 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -14.57 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.71 116.93 30.88 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.353 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.01 -22.1 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.859 0.361 . . . . 0.0 110.3 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -94.73 -1.79 52.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.28 10.21 15.03 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -44.04 -20.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 86.77 -0.95 86.85 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -141.0 157.81 44.81 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.24 110.74 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -81.35 163.06 23.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.559 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 56.1 t80 -52.36 -46.53 66.17 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.85 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.5 -43.88 84.56 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.305 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.44 -38.53 87.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.995 0.426 . . . . 0.0 109.908 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 44.7 t80 -62.18 -37.84 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.812 0.815 . . . . 0.0 109.253 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.59 -42.06 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.741 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.39 -47.9 82.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.742 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.28 -45.27 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.521 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.405 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.3 ttm -64.04 -46.34 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.29 -41.04 83.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.256 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -62.38 -40.43 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 109.884 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.93 -44.21 90.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.5 tp -57.29 -44.41 84.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.96 -31.31 72.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.526 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.62 -42.42 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.499 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.68 -47.85 84.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.482 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -61.36 -33.33 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.146 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.55 -44.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.977 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.54 -40.76 97.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.127 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 67.1 t0 -90.66 89.41 7.51 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 0.5 OUTLIER -56.65 -41.94 78.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.909 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 22.0 m-20 -66.38 -23.91 66.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.767 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 45.53 49.21 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.078 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -99.61 1.58 43.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.682 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.1 15.28 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 89.2 m-85 -151.05 150.98 31.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.657 0.265 . . . . 0.0 110.645 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 100' ' ' ILE . 88.2 mt -115.36 129.66 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 t -116.23 154.91 29.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.064 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.27 -40.56 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -55.52 20.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.66 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.5 mt-10 -62.8 -42.1 99.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.863 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' A' ' 109' ' ' MET . 3.9 tp -62.37 -40.56 96.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.656 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 102' ' ' ALA . 77.6 ttt-85 -65.99 -43.65 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.068 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -67.12 -45.1 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.41 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.18 -35.15 80.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.889 178.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 99.7 m -63.21 -45.12 93.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.03 -37.52 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -41.79 97.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.176 -1.375 . . . . 0.0 110.139 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.78 57.21 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -111.0 76.15 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 113.691 -1.254 . . . . 0.0 108.48 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -104.46 139.94 38.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.068 0.461 . . . . 0.0 110.744 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.577 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -111.44 -174.71 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.673 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.1 p -74.17 168.46 19.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.573 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.53 -40.44 96.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.733 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -67.43 -36.15 80.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -68.96 -46.01 69.24 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.19 -49.43 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.964 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.33 -49.38 67.19 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.844 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -56.24 -42.13 76.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.4 ttp -64.54 -41.61 96.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.368 0.604 . . . . 0.0 110.195 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.38 -45.88 84.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 129' ' ' ASP . 96.5 mtt180 -67.19 -33.71 75.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.27 0.557 . . . . 0.0 110.043 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.84 -34.09 73.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.273 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.53 40.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.324 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 66.5 t0 -101.59 123.82 46.23 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.65 -8.92 6.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' A' ' 133' ' ' ASP . 61.1 m-20 -90.91 -2.51 57.72 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.05 -2.1 0.28 Allowed Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.764 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.6 p-10 -45.93 -24.88 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 111.168 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 93.56 2.12 65.61 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -136.12 152.65 51.06 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.3 mp -109.79 119.41 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -80.17 168.21 19.39 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.048 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 141' ' ' PHE . 71.9 t80 -52.46 -65.77 0.5 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.977 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.4 pt-20 -42.51 -45.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.046 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 74.6 tt0 -67.52 -36.83 81.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 138' ' ' TYR . 39.6 t80 -62.52 -37.04 84.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.38 -41.01 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.923 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -48.73 80.48 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.47 -39.6 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.4 tpp -69.78 -44.82 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.505 . . . . 0.0 110.681 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.058 0.456 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.27 -40.06 80.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.573 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.162 0.506 . . . . 0.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -65.53 -41.27 93.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.98 -43.3 95.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.899 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -63.75 -32.36 73.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.52 -43.05 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.3 91.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.538 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.72 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.588 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.18 -46.27 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.748 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -60.09 -41.8 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.177 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 43.9 t0 -81.29 92.22 6.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.576 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.01 -46.9 81.97 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.82 -39.52 83.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.669 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 tt0 70.05 51.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.62 3.42 21.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.091 0.472 . . . . 0.0 110.118 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 93.62 29.71 9.75 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 81.6 m-85 -156.13 154.9 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.49 129.82 74.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.792 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 4.2 p -111.49 154.05 25.29 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.044 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.98 -41.19 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.57 67.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.488 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.792 ' H ' ' HG ' ' A' ' 101' ' ' SER . 47.6 mt-10 -62.5 -44.18 97.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.498 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.2 tp -63.65 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 80.3 ttt180 -65.0 -42.72 94.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.984 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -66.83 -43.75 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.21 -43.46 95.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.52 -33.9 77.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.096 0.474 . . . . 0.0 109.822 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.8 m -65.36 -45.62 83.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.901 0.858 . . . . 0.0 108.878 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -41.96 79.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.417 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.03 11.32 Favored Glycine 0 N--CA 1.459 0.183 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -99.91 137.78 37.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 88.61 2.94 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.165 0.507 . . . . 0.0 111.098 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.0 mp -87.28 165.93 15.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.89 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 120' ' ' GLU . 14.3 t -103.23 170.42 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.613 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 36.2 p-10 -60.61 -40.08 90.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 41.8 tt0 -64.03 -43.61 95.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.417 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.402 ' H ' ' CG2' ' A' ' 117' ' ' THR . 61.7 mm-40 -65.78 -46.91 76.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.49 -48.53 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.73 -49.94 64.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -55.28 -45.37 76.2 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.759 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -64.14 -43.29 95.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.401 0.62 . . . . 0.0 110.225 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -67.73 -45.63 84.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.219 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.44 -35.23 79.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 110.205 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -69.93 -38.73 76.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.517 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.8 -13.06 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.99 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.54 127.99 54.87 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.479 0.657 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.61 -12.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 C-N-CA 124.348 1.059 . . . . 0.0 109.568 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -94.5 -10.46 32.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.9 11.77 61.25 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 113.745 -1.571 . . . . 0.0 111.739 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 40.2 p-10 -54.59 -33.74 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 101.22 0.98 54.22 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 2.9 mp0 -143.08 160.81 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 8.7 mm -99.42 117.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 1.1 m-20 -78.18 163.68 25.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.09 -50.7 66.22 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.228 -178.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.3 pt-20 -57.64 -44.02 85.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.867 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 33.0 tt0 -64.47 -35.28 80.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.579 . . . . 0.0 109.773 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.92 -40.86 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.406 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.88 -43.72 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.89 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.35 -46.18 91.32 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.338 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.48 -44.2 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.335 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.1 mmt -65.43 -42.66 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.581 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.8 mmm . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.565 -179.816 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.21 -42.66 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 56.0 mp0 -63.39 -38.91 92.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -64.93 -40.54 95.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.323 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.45 -43.82 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.188 0.518 . . . . 0.0 110.039 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.558 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.8 mttm -63.68 -32.11 73.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.18 -43.47 91.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.59 97.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.382 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.43 -45.55 93.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.382 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 65.7 ttp85 -61.81 -33.63 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.48 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.85 -45.6 87.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.337 0.589 . . . . 0.0 109.861 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.7 -40.31 96.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.362 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.526 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 44.1 t0 -83.23 88.89 6.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -177.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -62.41 -47.79 82.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 50.5 m-20 -62.88 -19.01 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.313 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 42.0 mm-40 53.1 42.03 32.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -103.19 6.76 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.136 0.88 . . . . 0.0 110.109 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.78 27.2 32.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 78.3 m-85 -150.97 151.21 31.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.535 -0.332 . . . . 0.0 110.347 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -113.73 127.65 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.7 t -112.26 156.6 22.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.986 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.14 67.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.08 40.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.632 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 72.5 mt-10 -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.633 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.513 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.3 tp -61.43 -41.07 96.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.739 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -66.25 -42.49 88.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.09 -46.03 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.448 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.37 -42.98 96.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -64.32 -34.79 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.578 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.3 m -65.7 -43.23 89.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 110.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.85 -37.07 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.854 0.835 . . . . 0.0 108.911 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -42.48 81.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.083 -1.417 . . . . 0.0 110.308 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.81 20.82 9.58 Favored Glycine 0 N--CA 1.46 0.256 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.82 140.04 37.61 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.2 89.74 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.5 mp -92.62 152.33 19.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.964 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.514 HG21 ' H ' ' A' ' 120' ' ' GLU . 14.0 t -88.64 171.55 9.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.94 -40.41 97.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.083 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.03 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.427 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.514 ' H ' HG21 ' A' ' 117' ' ' THR . 60.0 mm-40 -66.51 -44.89 81.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.6 -50.25 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.209 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.46 -48.67 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -54.79 -43.92 73.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.966 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.85 -43.13 89.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.464 0.649 . . . . 0.0 110.52 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 21.1 mm -66.44 -44.59 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.606 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -68.95 -34.17 74.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.187 0.518 . . . . 0.0 110.113 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -70.29 -39.68 74.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.21 -11.98 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 31.6 m-20 -97.63 115.4 27.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.867 0.365 . . . . 0.0 111.071 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.58 -26.01 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.922 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.282 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.569 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.0 m-20 -90.14 -3.68 57.75 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 61.92 -5.89 0.31 Allowed Glycine 0 CA--C 1.533 1.177 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' A' ' 131' ' ' ASP . 47.5 p-10 -43.2 -23.82 0.06 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.837 0.351 . . . . 0.0 110.685 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 132' ' ' GLY . . . 92.34 3.15 67.43 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.39 155.2 49.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.61 115.9 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 20.9 t-20 -81.06 167.94 19.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.558 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 68.2 t80 -54.37 -61.9 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.252 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -40.3 -46.09 2.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.171 0.51 . . . . 0.0 111.174 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -69.18 -39.33 78.76 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.934 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 138' ' ' TYR . 23.9 t80 -59.87 -26.12 65.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.139 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.2 -39.77 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.392 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.53 -46.67 88.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.058 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.93 -43.75 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.712 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.9 mmt -61.29 -45.29 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.463 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.85 179.58 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.96 0.41 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.86 -40.97 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.282 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.05 -39.06 93.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 109.833 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.63 -40.67 95.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.523 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.089 0.471 . . . . 0.0 110.085 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -63.27 -33.05 74.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.15 -42.37 93.84 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.59 97.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.348 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.62 -45.7 91.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -63.27 -34.36 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.51 -45.65 88.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.697 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -62.65 -40.97 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.286 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 46.2 t0 -86.85 83.83 7.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.034 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.653 ' HZ2' ' CG ' ' A' ' 107' ' ' HIS . 97.4 mttt -61.13 -42.68 98.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.645 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.51 -19.51 64.83 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.316 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 52.82 39.52 29.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.133 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.63 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -101.65 6.88 42.18 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 178.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.456 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 85.64 28.84 28.37 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 91.5 m-85 -151.52 151.91 32.24 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 100' ' ' ILE . 80.0 mt -114.39 127.28 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.0 p -108.03 153.95 22.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -53.21 -40.17 64.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.65 -51.07 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.708 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -65.95 -43.11 88.94 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.706 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.9 tp -63.25 -40.89 98.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.298 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 60.7 ttp180 -62.64 -43.44 98.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.653 ' CG ' ' HZ2' ' A' ' 94' ' ' LYS . 2.5 t-80 -67.52 -42.96 81.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.113 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.65 -44.12 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.074 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -69.41 -43.86 72.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.392 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.19 -40.0 94.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.939 0.876 . . . . 0.0 109.25 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 -39.34 91.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.99 13.79 9.82 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 109' ' ' MET . 73.9 mm-40 -103.49 126.63 50.76 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 113.973 -1.114 . . . . 0.0 108.18 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -119.63 101.3 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.973 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.0 mp -96.99 151.26 19.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.059 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 118' ' ' ASP . 77.2 m -76.41 168.03 20.79 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.767 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.442 ' N ' ' CG2' ' A' ' 117' ' ' THR . 66.9 t0 -63.39 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 117' ' ' THR . 82.5 tt0 -66.86 -40.21 87.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.974 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -66.37 -44.04 84.25 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.01 -49.38 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -63.29 -47.28 82.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.26 -41.41 79.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.79 0.329 . . . . 0.0 110.726 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.9 ttp -63.49 -41.63 98.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.639 . . . . 0.0 110.114 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.27 -46.81 83.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.478 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.123 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -70.8 -42.55 70.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.613 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -74.22 -21.25 59.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.4 t0 -91.91 118.96 31.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.453 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -121.72 -22.89 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.922 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.7 p30 -83.87 -11.01 57.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 68.38 74.83 0.56 Allowed Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.417 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 30.7 p-10 -128.7 -27.62 2.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.626 0.251 . . . . 0.0 111.229 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.8 4.01 73.18 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.417 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 57.5 mt-30 -135.91 152.73 51.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.1 mm -104.21 112.87 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.1 OUTLIER -80.54 168.03 19.4 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -56.11 -49.38 74.04 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.871 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.44 -48.19 77.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 37.3 tt0 -64.25 -36.82 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 36.8 t80 -63.14 -44.3 95.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.02 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 146' ' ' MET . 43.1 t -58.36 -45.41 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.566 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -43.8 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.866 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.72 -43.86 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -76.78 -39.57 51.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -178.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 45.9 ttp . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.05 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.234 0.54 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -54.61 -47.6 73.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.169 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -59.83 -38.58 82.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.175 0.512 . . . . 0.0 109.738 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 16.8 tp10 -65.61 -44.46 86.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.717 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.05 -45.22 87.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.705 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.75 -33.46 75.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.755 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 65.5 mm-40 -61.71 -45.33 94.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.212 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.81 -45.1 93.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.529 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 74.4 mtm180 -62.9 -32.91 74.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.644 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.87 -44.87 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.28 0.562 . . . . 0.0 109.485 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.598 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -84.19 88.45 7.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.29 -46.94 85.15 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 48.2 m-20 -66.8 -40.09 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 73.76 49.39 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.78 0.675 . . . . 0.0 111.889 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.58 5.64 23.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.127 0.489 . . . . 0.0 109.959 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.49 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 88.93 24.55 32.01 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.459 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 71.6 m-85 -148.52 147.98 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.162 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.62 124.72 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -104.95 154.91 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.281 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -53.53 -40.64 65.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.64 -50.46 68.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.512 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 72.1 mt-10 -66.32 -43.04 87.29 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.66 -40.89 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.01 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.441 ' O ' ' OG1' ' A' ' 110' ' ' THR . 77.2 ttt-85 -64.78 -43.18 94.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.88 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -65.85 -42.58 90.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.12 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.69 -42.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.06 -34.34 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.93 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.5 m -67.93 -42.89 80.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.2 -38.15 76.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.919 0.866 . . . . 0.0 108.799 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -54.42 39.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.58 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.74 21.08 5.85 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 108.469 -1.853 . . . . 0.0 108.469 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.98 87.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.876 -1.162 . . . . 0.0 108.102 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.71 156.17 17.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.19 171.47 7.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.755 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 9.4 p -78.59 172.32 13.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.8 178.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.865 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.077 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.83 -44.27 86.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.011 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.1 -49.97 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.957 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -63.45 -48.59 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -55.25 -44.18 75.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.913 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -65.79 -42.98 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.47 0.652 . . . . 0.0 110.36 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 20.1 mm -66.99 -44.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 1.4 mmp_? -69.88 -34.42 73.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.552 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -72.11 -41.05 67.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.567 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -77.19 -19.23 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 19.6 m-20 -90.92 118.85 30.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.954 0.407 . . . . 0.0 111.951 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.45 -17.7 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 121.224 0.535 . . . . 0.0 110.663 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 133' ' ' ASP . 17.1 m-20 -93.69 -5.08 49.37 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.72 0.0 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.195 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.2 p-10 -41.09 -21.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.827 0.346 . . . . 0.0 110.64 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 90.9 1.58 73.05 Favored Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -140.57 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.13 114.44 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 15.2 t-20 -82.68 164.71 20.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.517 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 68.9 t80 -54.17 -46.43 72.33 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.073 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 13.6 pt-20 -54.96 -43.71 73.71 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.819 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 30.2 tt0 -69.38 -41.14 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.137 0.494 . . . . 0.0 109.979 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.93 -35.88 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.035 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -41.81 79.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.622 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -48.06 77.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.857 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.41 -41.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 42.7 tpp -69.86 -41.21 75.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.6 ttt . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.707 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.77 -37.33 76.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.75 -38.97 92.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.981 0.42 . . . . 0.0 109.889 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.58 -47.46 75.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.939 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.56 -44.81 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 62.2 mttm -64.32 -31.07 72.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.608 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.2 -45.01 90.18 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.33 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.223 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -60.29 -45.25 93.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.232 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -61.87 -33.66 74.6 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.82 -43.93 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.705 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.08 -39.64 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.413 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -86.11 85.98 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.174 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.444 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 13.3 m-20 -63.45 -33.7 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.178 0.513 . . . . 0.0 109.953 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.57 42.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.385 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.24 6.59 48.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.813 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.43 85.37 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 6.5 m-85 -131.73 134.85 46.33 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -84.84 130.85 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -107.38 153.99 21.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.373 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.52 68.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.74 79.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.543 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 95' ' ' ASP . 67.2 mt-10 -63.49 -41.52 98.55 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.743 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.22 -38.94 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.585 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -63.73 -45.35 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -65.88 -43.04 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.118 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.74 -42.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.852 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.49 -31.36 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.869 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.3 m -67.22 -43.72 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.114 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.64 -34.58 77.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.669 0.747 . . . . 0.0 109.258 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -42.49 90.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.34 -1.3 . . . . 0.0 110.259 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.23 26.15 8.46 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -101.18 143.96 30.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.036 . . . . 0.0 108.404 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.74 81.42 1.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -87.98 166.26 14.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 118' ' ' ASP . 14.9 t -107.59 172.04 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.755 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.484 ' N ' ' HG1' ' A' ' 117' ' ' THR . 35.1 t70 -62.32 -38.6 90.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.089 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.43 -42.23 92.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.171 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 117' ' ' THR . 53.5 mm-40 -66.86 -45.91 76.68 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.13 -49.0 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.974 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.42 -47.93 77.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.31 -43.46 83.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.662 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -65.86 -44.0 86.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.42 0.628 . . . . 0.0 110.24 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.55 -44.47 86.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.328 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' ASP . 60.4 ttt85 -67.04 -35.44 79.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.559 . . . . 0.0 109.996 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -71.97 -46.56 56.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.506 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.95 -23.25 59.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 126' ' ' ARG . 52.2 t0 -96.83 124.29 40.76 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.88 -11.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 133' ' ' ASP . 69.0 m-20 -84.46 -7.95 59.12 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 174.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.01 -0.9 3.01 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-N 112.884 -1.962 . . . . 0.0 112.501 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 43.0 p-10 -43.48 -25.6 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.565 0.221 . . . . 0.0 110.967 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.3 0.36 63.23 Favored Glycine 0 N--CA 1.467 0.74 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 0.8 OUTLIER -140.35 156.23 46.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 116.0 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' CD1' ' A' ' 99' ' ' PHE . 9.9 m120 -79.63 158.91 26.94 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.44 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 58.6 t80 -51.6 -46.78 63.66 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.805 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.25 -43.16 87.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.661 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.33 -38.46 90.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.62 -44.17 97.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 146' ' ' MET . 77.5 t -58.19 -43.11 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.351 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.29 -46.68 89.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.272 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.23 -46.59 77.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.693 0.282 . . . . 0.0 111.484 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 mmt -68.71 -45.02 72.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 44.7 ttm . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.299 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.927 0.394 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 8.7 tm-20 -56.88 -42.07 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.85 -38.02 89.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 109.883 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -65.22 -38.53 90.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.04 -44.11 97.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.014 0.435 . . . . 0.0 109.955 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.32 -32.65 74.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.568 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.82 -44.35 93.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.366 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.64 -46.83 86.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.42 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -64.85 -33.07 75.13 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.374 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.65 -45.09 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.923 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -60.5 -38.94 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.253 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.472 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 49.3 t0 -84.27 95.16 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -48.18 82.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 14.3 m-20 -65.68 -42.9 90.73 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.368 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 7.3 tt0 74.88 51.2 0.08 Allowed 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.891 0.745 . . . . 0.0 112.344 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -109.06 9.91 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.53 26.22 30.75 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.459 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 88.6 m-85 -151.06 151.55 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.94 126.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -107.29 156.15 19.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.168 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.54 69.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.56 67.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.423 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 68.7 mt-10 -64.3 -42.13 96.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.713 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.81 -40.07 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -62.42 -43.46 98.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.999 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.93 -45.28 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.63 -42.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.122 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.78 -34.75 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.6 m -67.8 -40.09 83.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.295 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.3 -35.04 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.934 0.873 . . . . 0.0 109.181 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -34.32 65.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.576 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.53 16.73 33.31 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -110.67 138.24 47.32 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -116.56 100.27 7.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.5 mp -98.53 147.54 24.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.828 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.583 ' HG1' ' H ' ' A' ' 118' ' ' ASP . 12.8 t -81.96 175.6 10.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.724 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.583 ' H ' ' HG1' ' A' ' 117' ' ' THR . 13.6 m-20 -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.91 -41.54 91.29 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.411 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.447 ' H ' HG23 ' A' ' 117' ' ' THR . 58.1 mm-40 -66.48 -45.93 78.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.17 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.133 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.9 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.017 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -55.46 -42.91 74.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.9 ttt -65.17 -42.38 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.467 0.651 . . . . 0.0 110.113 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 5.3 mm -66.48 -44.23 90.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.562 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 126' ' ' ARG . 60.7 ttm-85 -69.71 -35.46 75.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.153 0.501 . . . . 0.0 110.092 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -69.18 -39.04 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.417 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.61 -13.16 59.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.345 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 29.7 m-20 -100.89 119.91 39.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.6 p -105.96 -18.59 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.035 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' A' ' 133' ' ' ASP . 37.8 p30 -101.3 1.01 38.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.21 9.07 1.87 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.689 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 50.3 p-10 -48.11 -23.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.729 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 90.0 -0.47 79.09 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -131.64 147.57 52.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.4 118.38 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.61 HD21 ' CG ' ' A' ' 139' ' ' GLU . 0.6 OUTLIER -82.8 158.61 22.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.402 ' OH ' ' OE2' ' A' ' 82' ' ' GLU . 51.3 t80 -51.51 -52.15 49.19 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.093 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 137' ' ' ASN . 15.5 pt-20 -53.86 -42.69 68.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.917 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 36.6 tt0 -64.41 -39.55 94.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.124 0.488 . . . . 0.0 109.835 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.85 -42.28 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.186 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 146' ' ' MET . 55.0 t -59.8 -42.91 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.173 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.71 -45.87 92.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 81.7 t -68.86 -43.5 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.784 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.215 0.531 . . . . 0.0 111.163 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 10.5 tpp . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.549 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.884 0.373 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.37 -48.69 71.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -60.72 -39.41 88.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 0.0 109.989 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.79 -47.38 75.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.027 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.07 -45.65 64.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -64.04 -33.27 75.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.04 -42.78 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.235 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.487 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -60.99 -33.87 73.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.128 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.61 -46.0 93.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.55 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -62.05 -41.47 98.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.757 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -87.21 84.27 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.636 ' HZ1' ' CG ' ' A' ' 107' ' ' HIS . 56.5 mtpt -58.74 -44.45 90.51 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.18 -40.27 90.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.646 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 71.43 49.53 0.3 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.702 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.761 ' ND2' ' H ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -103.03 4.75 37.62 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.151 0.5 . . . . 0.0 109.914 179.085 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.8 68.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.761 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 18.4 m-85 -127.43 128.92 46.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -82.35 130.56 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 m -97.55 149.27 22.38 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.244 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.13 71.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.31 -48.03 83.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.579 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.24 -40.46 86.32 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.721 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.77 -37.45 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.853 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -65.05 -43.77 91.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.808 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.636 ' CG ' ' HZ1' ' A' ' 94' ' ' LYS . 11.1 t60 -66.72 -42.12 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.5 t -62.62 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.261 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.23 -28.89 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.035 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.9 m -72.05 -42.4 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.426 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -65.37 -39.52 92.41 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.896 0.855 . . . . 0.0 109.188 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -46.91 -22.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.63 -1.623 . . . . 0.0 110.845 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.19 17.38 55.85 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -109.24 141.88 40.89 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 91.77 3.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.136 0.494 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 6.0 mp -92.45 150.52 20.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.357 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -86.32 169.78 12.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.667 178.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -62.84 -37.6 87.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.003 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.9 -43.93 91.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.509 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' H ' HG21 ' A' ' 117' ' ' THR . 63.8 mm-40 -65.61 -45.35 83.47 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.42 -49.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.218 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.37 -46.48 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -57.31 -43.04 82.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.79 0.328 . . . . 0.0 110.902 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.4 ttt -64.81 -42.46 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.035 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.9 mm -68.19 -44.16 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.416 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -68.84 -35.38 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.299 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -72.53 -46.46 54.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.273 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 44.8 m-20 -95.86 124.69 39.98 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.129 0.49 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 m -133.78 -20.14 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.596 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.78 -15.97 58.71 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 72.48 1.07 Allowed Glycine 0 CA--C 1.531 1.033 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.562 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 58.5 m-20 -128.27 -31.35 2.32 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.718 0.294 . . . . 0.0 111.204 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.5 2.03 65.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 7.1 mp0 -142.27 157.91 44.3 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -97.95 111.73 28.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 99' ' ' PHE . 24.7 t-20 -78.38 161.33 27.24 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.0 -47.34 68.34 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.881 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.7 pt-20 -57.05 -42.47 80.59 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.74 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 33.4 tt0 -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 145' ' ' MET . 45.9 t80 -58.3 -42.38 86.52 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 122.328 1.061 . . . . 0.0 109.109 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.94 -41.98 92.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.039 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -64.82 -49.18 71.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.285 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 145' ' ' MET . 7.3 p -74.6 -51.1 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -57.79 -46.18 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 110.493 -178.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.3 tpp . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 -179.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.248 0.547 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 14.5 tm-20 -61.72 -34.92 76.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.738 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.51 -40.48 96.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.397 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.79 -36.92 83.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.852 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.95 -44.68 94.25 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.753 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -65.19 -31.34 72.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.96 -44.99 91.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.68 90.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.135 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.11 -46.04 90.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.291 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -60.94 -33.87 73.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.44 -45.28 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.144 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -63.44 -41.18 98.66 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.202 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -88.59 81.24 7.14 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.607 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -64.78 -45.96 84.13 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 34.9 m-20 -60.93 -20.85 62.78 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.048 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 61.86 28.79 17.62 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.649 0.593 . . . . 0.0 112.025 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -79.58 -3.58 47.64 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.02 -0.75 76.5 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.64 138.26 40.95 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -82.79 126.42 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 t -102.89 151.15 22.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.504 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.86 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.39 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.804 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 95' ' ' ASP . 74.8 mt-10 -66.95 -42.5 85.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.79 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.498 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.0 tp -62.13 -39.04 91.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.827 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.445 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt180 -67.93 -44.18 77.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.824 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -67.37 -44.89 77.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.87 -44.54 99.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.092 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.615 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.55 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 76.6 m -73.8 -43.03 60.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.23 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.65 -40.28 95.17 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.986 0.898 . . . . 0.0 108.983 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.28 -20.29 1.02 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.865 -1.516 . . . . 0.0 111.068 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.36 18.63 48.58 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 108.284 -1.926 . . . . 0.0 108.284 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -114.34 141.83 47.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.759 -1.22 . . . . 0.0 108.182 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -129.0 105.71 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.062 0.458 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.8 mp -104.91 155.78 18.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.908 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.3 p -80.39 171.03 15.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.798 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.03 -40.55 98.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.816 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.98 -43.51 87.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.171 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.09 -43.09 99.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.52 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.014 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.52 -48.98 75.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.88 -46.2 78.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.48 -42.39 98.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.441 0.639 . . . . 0.0 110.173 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.9 mm -68.05 -45.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -65.97 -36.37 83.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.24 0.543 . . . . 0.0 110.161 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -68.97 -33.96 74.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -85.44 -15.94 41.33 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.885 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 7.7 m-20 -96.97 120.52 37.46 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -14.35 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.185 -0.947 . . . . 0.0 109.528 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 133' ' ' ASP . 45.3 p-10 -101.67 -2.56 30.04 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 54.53 11.14 2.47 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.426 -1.369 . . . . 0.0 109.84 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 131' ' ' ASP . 48.6 p-10 -43.58 -25.36 0.16 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.52 -0.63 59.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 2.0 pt20 -146.42 163.25 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' A' ' 136' ' ' ILE . 1.5 mp -100.92 116.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 56.5 t-20 -78.61 160.1 27.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 53.2 t80 -53.12 -50.9 63.54 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.776 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.78 -42.58 68.43 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 39.1 tt0 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 37.8 t80 -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.84 -41.73 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.725 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.3 -49.52 75.3 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.008 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -72.81 -45.36 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.43 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.404 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.4 ttm -62.94 -49.02 76.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.981 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.632 -179.819 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.997 0.427 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -56.4 -43.42 79.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.147 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.13 -39.25 89.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.962 0.41 . . . . 0.0 109.992 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.99 -40.54 96.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.368 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.79 -45.23 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.7 mttm -62.56 -34.16 76.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.704 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.65 -44.32 96.55 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.056 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.39 -40.75 87.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.623 HH21 ' NE2' ' A' ' 96' ' ' GLN . 30.9 mmm-85 -65.4 -34.44 78.31 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.15 -45.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 109.585 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -62.15 -40.69 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.706 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.32 87.36 6.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -57.69 -47.18 83.07 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 87.3 m-20 -66.86 -37.55 84.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.111 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.623 ' NE2' HH21 ' A' ' 90' ' ' ARG . 0.6 OUTLIER 73.31 49.06 0.15 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.558 178.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -112.33 7.32 19.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.418 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.61 27.21 27.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.459 -1.057 . . . . 0.0 110.459 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 86.4 m-85 -150.68 149.45 29.84 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.24 128.87 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.717 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 8.9 p -107.73 153.97 22.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.079 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.54 70.86 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -54.44 -51.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.525 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.717 ' H ' ' HG ' ' A' ' 101' ' ' SER . 98.5 mt-10 -65.48 -41.31 93.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.812 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.27 -37.54 85.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.89 -43.25 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.896 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 55.5 m80 -66.31 -43.93 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.78 -43.29 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.5 mmt -67.93 -30.7 70.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.1 m -68.21 -44.2 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.02 -38.29 90.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.858 0.837 . . . . 0.0 109.151 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.85 -29.36 40.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.667 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.06 36.16 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 107.738 -2.145 . . . . 0.0 107.738 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -110.25 137.37 48.07 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -121.97 101.4 7.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.55 0.69 . . . . 0.0 111.495 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 6.1 mp -100.29 151.17 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.114 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.4 p -80.53 170.9 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.737 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.63 -38.33 90.69 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.02 -43.31 83.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.202 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.51 -43.75 96.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.2 -46.92 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.8 -49.43 68.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.346 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.09 -42.66 86.11 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.711 0.291 . . . . 0.0 110.821 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.1 ttp -64.64 -42.58 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.521 0.676 . . . . 0.0 110.019 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -69.2 -44.51 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.31 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.82 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.0 109.926 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -72.77 -39.37 66.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.76 -18.2 58.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.134 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -97.1 118.88 34.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.275 53.4 t -111.92 -25.59 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.659 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -90.7 -5.82 55.27 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -177.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.94 6.49 45.23 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.644 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.17 -30.19 16.07 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.437 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 2.43 68.02 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -137.74 154.05 49.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 11.9 mm -98.52 114.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.7 ' ND2' ' H ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.83 162.11 21.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.42 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 64.8 t80 -51.29 -46.9 62.63 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.913 -177.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.42 ' CG ' ' OD1' ' A' ' 137' ' ' ASN . 15.3 pt-20 -60.67 -44.88 95.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.75 -42.36 95.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.522 . . . . 0.0 109.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.2 -43.52 95.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.218 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 146' ' ' MET . 62.2 t -60.21 -43.07 92.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.168 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -59.71 -46.7 88.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.7 t -67.82 -43.47 86.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.854 0.359 . . . . 0.0 111.634 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.9 tpp -73.83 -42.76 60.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 11.9 ttt . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.285 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.93 0.395 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.48 -42.26 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.135 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.85 -44.18 90.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.94 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.85 -44.46 86.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.04 -33.05 74.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.28 -43.8 90.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.61 99.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.25 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.93 -44.81 94.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.229 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -62.74 -32.57 73.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.776 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -44.38 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 109.932 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -64.14 -39.02 93.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.622 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -83.35 89.98 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.0 -47.54 79.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.065 0.46 . . . . 0.0 110.087 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 17.3 m-20 -68.36 -23.86 64.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.746 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 62.19 39.56 12.57 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.453 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.32 6.45 46.81 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.6 -1.313 . . . . 0.0 109.572 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.07 74.51 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.04 155.68 48.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.299 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 100' ' ' ILE . 81.0 mt -112.15 128.11 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -107.98 156.11 19.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.379 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -54.38 -41.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.06 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.443 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 68.0 mt-10 -64.73 -42.86 94.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.559 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.86 -41.56 97.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.134 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' O ' ' OG1' ' A' ' 110' ' ' THR . 61.8 ttp180 -64.3 -43.34 95.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.206 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CE1' HD22 ' A' ' 111' ' ' ASN . 58.6 t-80 -66.24 -46.28 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.73 -41.35 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.053 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.5 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 8.3 mmt -65.14 -35.23 80.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.646 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 27.0 m -64.14 -42.34 96.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.35 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.606 HD22 ' CE1' ' A' ' 107' ' ' HIS . 62.0 m-80 -61.58 -36.41 80.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.844 0.83 . . . . 0.0 109.131 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -41.52 83.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.26 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.81 15.9 17.16 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 94.5 mt-10 -97.52 134.77 40.31 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -119.59 91.67 3.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.95 0.405 . . . . 0.0 111.414 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -97.21 165.02 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.558 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.489 HG22 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -95.13 170.79 9.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.576 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 22.4 p-10 -64.28 -39.7 94.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.815 0.34 . . . . 0.0 110.205 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.83 -42.23 98.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.243 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.489 ' H ' HG22 ' A' ' 117' ' ' THR . 66.1 mm-40 -67.2 -43.37 82.28 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.63 -48.95 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.277 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.88 -49.26 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.122 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -55.1 -42.26 72.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.833 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 18.7 ttt -66.73 -42.69 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.413 0.625 . . . . 0.0 110.44 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 15.3 mm -67.06 -44.62 88.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.66 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -70.04 -34.49 73.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.165 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.82 -39.8 72.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -78.76 -16.43 57.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.106 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 35.3 m-20 -98.01 122.46 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.39 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.83 -12.81 4.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -81.64 -14.18 57.0 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.22 73.12 0.79 Allowed Glycine 0 CA--C 1.532 1.126 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 52.3 p-10 -135.08 -24.12 1.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.49 0.186 . . . . 0.0 111.375 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.21 7.67 84.77 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.461 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 28.9 mt-30 -134.4 153.87 51.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.9 mm -103.34 115.38 45.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.579 HD21 ' CG ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -82.27 160.66 22.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -52.33 -53.47 43.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.579 ' CG ' HD21 ' A' ' 137' ' ' ASN . 16.4 pt-20 -53.66 -41.61 66.99 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.758 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 38.3 tt0 -68.16 -38.69 82.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.55 -37.81 82.46 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.9 t -67.29 -41.88 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.09 -46.48 87.16 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.863 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.29 -42.92 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.474 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 tpp -66.26 -43.93 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.171 0.51 . . . . 0.0 110.857 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.718 179.464 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.147 0.498 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.65 -35.41 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.76 -40.58 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.103 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.59 -40.0 88.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.165 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.74 -43.71 97.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -65.13 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.716 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.8 -44.42 89.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.38 90.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.04 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.89 -44.81 96.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.255 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -61.23 -34.78 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.423 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.2 -44.58 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.307 0.575 . . . . 0.0 109.674 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.22 -41.07 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.051 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 20.9 t0 -86.01 84.59 7.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -62.97 -49.07 76.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.211 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.464 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 11.1 m-20 -65.54 -34.66 78.78 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER 64.28 51.02 2.2 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.389 1.055 . . . . 0.0 112.413 177.159 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -97.07 8.34 44.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.701 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.9 -6.73 73.37 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 1.5 m-85 -129.02 170.03 13.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.1 mt -118.06 125.54 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 p -104.45 153.2 21.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.929 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.44 -38.34 58.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -55.49 -52.41 63.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.292 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 95' ' ' ASP . 68.8 mt-10 -64.13 -43.58 94.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.92 -34.78 78.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.08 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 102' ' ' ALA . 59.0 ttp180 -67.55 -44.01 79.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.913 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.3 m80 -66.84 -41.79 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.956 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.26 -44.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.43 -28.47 69.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.59 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -73.39 -42.15 62.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.36 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.0 -39.34 91.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.783 0.802 . . . . 0.0 109.193 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.68 27.25 8.57 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -133.29 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -89.3 140.29 29.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.726 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.39 -174.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.634 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -84.01 166.81 17.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -62.81 -35.43 79.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.48 -34.61 63.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.852 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.35 -46.74 72.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -50.52 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.656 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.11 -46.97 84.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -43.06 82.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.626 0.251 . . . . 0.0 110.91 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.6 ttp -64.92 -42.88 94.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.527 0.679 . . . . 0.0 110.331 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -43.9 83.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.555 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 129' ' ' ASP . 62.6 ttp180 -68.96 -34.29 75.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.151 0.5 . . . . 0.0 110.148 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -73.29 -43.81 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.226 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -74.53 -17.27 60.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.344 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 46.2 t0 -104.26 125.33 50.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 122.056 0.932 . . . . 0.0 110.637 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 130' ' ' VAL . 31.3 m -124.37 -17.16 4.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.911 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 27.9 p30 -98.61 -6.99 28.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 64.19 25.88 70.02 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.491 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 135' ' ' GLN . 33.3 p-10 -71.91 11.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 62.82 0.75 3.09 Favored Glycine 0 C--N 1.333 0.399 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 133' ' ' ASP . 73.2 mt-30 -143.41 -174.45 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.07 127.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -81.32 156.77 25.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 64.2 t80 -50.04 -57.18 8.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 1.8 pm0 -48.71 -45.17 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.642 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 128' ' ' ALA . 42.0 tt0 -64.54 -40.73 96.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.976 0.417 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.71 -42.56 97.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 58.9 t -60.24 -43.9 94.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.182 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.55 -45.14 94.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.921 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 -46.61 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 111.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.0 tpp -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.464 . . . . 0.0 111.005 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.454 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -57.68 -44.28 85.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -61.13 -39.82 91.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 109.883 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.17 -38.48 90.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.382 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.89 -44.37 97.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 109.885 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.43 -32.22 73.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.97 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.335 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.96 -45.81 92.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.685 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -59.25 -33.13 70.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.123 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.6 -45.64 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.614 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.99 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.697 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 40.5 t0 -81.56 88.9 6.17 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -60.0 -46.93 87.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 26.4 m-20 -71.32 -9.79 58.71 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.844 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 95' ' ' ASP . 1.0 OUTLIER 42.13 48.2 4.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.153 0.908 . . . . 0.0 112.301 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -105.47 4.86 31.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.991 0.424 . . . . 0.0 110.547 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.94 23.79 34.29 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 72.5 m-85 -149.49 149.14 30.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.02 127.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -112.81 157.03 21.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.979 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.94 -43.83 63.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.05 -53.89 43.52 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.525 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 61.2 mt-10 -60.76 -43.63 97.76 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.21 -40.15 95.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.4 ttp180 -60.61 -42.99 97.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.71 -44.25 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.984 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.24 -43.68 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.019 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.2 mmt -63.15 -39.3 94.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.845 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -67.24 -43.98 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.256 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -61.68 -42.05 98.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.931 0.872 . . . . 0.0 109.15 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.59 -44.41 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.8 6.89 45.7 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.87 76.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 113.966 -1.117 . . . . 0.0 108.166 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -105.74 134.71 48.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.855 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.606 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -110.42 -175.99 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.963 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -70.09 169.11 14.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.604 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.91 -40.95 99.16 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.044 0.45 . . . . 0.0 110.015 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.4 mp0 -69.26 -36.39 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -66.14 -44.91 82.81 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.15 -47.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.997 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -67.56 -51.33 51.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.32 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -55.66 -41.12 73.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.744 0.307 . . . . 0.0 110.807 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 ttp -64.38 -41.38 96.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.502 0.668 . . . . 0.0 109.981 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.27 -45.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.255 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.83 -34.59 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.165 0.507 . . . . 0.0 110.102 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.21 -34.92 77.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.37 -13.84 57.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.229 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -102.03 124.01 46.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.11 -18.76 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.27 -14.35 59.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 73.67 0.75 Allowed Glycine 0 CA--C 1.532 1.107 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.413 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.4 p-10 -142.54 -26.13 0.63 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.96 5.95 70.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.97 150.03 52.19 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.02 117.88 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -84.21 171.0 13.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -56.05 -45.85 79.12 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.935 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.9 pt-20 -57.85 -46.21 85.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.95 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 34.5 tt0 -67.02 -37.24 83.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.293 0.568 . . . . 0.0 110.018 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.87 -41.99 97.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.333 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.79 -43.6 95.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.087 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -63.28 -44.49 94.91 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.912 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.35 -42.16 84.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.644 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 ttm -71.42 -40.06 70.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.067 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 146' ' ' MET . 2.1 tmt? . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.752 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.23 0.044 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.35 -38.03 89.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.095 0.474 . . . . 0.0 109.824 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.27 -38.26 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.063 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.7 tp -60.91 -44.47 97.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -64.05 -33.04 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.402 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -64.06 -44.61 91.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.94 95.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.361 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -59.63 -45.77 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.307 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -62.18 -32.69 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.22 -44.02 87.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.992 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.22 -38.36 90.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.096 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.03 88.49 7.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -45.88 89.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 9.3 t0 -61.84 -45.82 92.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER 77.54 47.18 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.269 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.51 HD21 ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -111.27 9.07 21.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 179.062 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.51 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 88.36 21.4 44.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.493 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 77.7 m-85 -147.15 148.04 31.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.657 -0.271 . . . . 0.0 110.656 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.404 HD12 HG21 ' A' ' 100' ' ' ILE . 74.6 mt -112.69 116.2 51.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.567 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 7.2 t -92.3 155.15 18.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.598 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.567 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -57.13 -44.34 83.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.83 69.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.723 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -64.75 -40.44 95.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.746 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.55 -40.68 97.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.747 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -64.54 -42.08 95.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.02 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.447 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.4 m170 -65.06 -40.96 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.41 -40.84 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.246 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.3 mmt -64.19 -36.1 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.184 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 28.8 p -72.02 -41.85 67.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.261 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.97 -40.23 97.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 108.815 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.25 -26.81 66.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.32 14.36 35.88 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' MET . 66.4 mm-40 -106.51 135.26 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.092 -1.054 . . . . 0.0 108.595 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -121.3 99.79 6.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 111.23 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.8 mp -103.99 154.95 19.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.491 HG22 ' H ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -84.43 174.66 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.759 178.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.5 p-10 -63.02 -40.85 98.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 109.944 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.9 mt-10 -63.21 -43.46 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.172 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.491 ' H ' HG22 ' A' ' 117' ' ' THR . 65.7 mm-40 -66.35 -45.07 81.44 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.34 -48.56 87.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.232 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.2 -50.02 65.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.654 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.6 -45.03 77.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.489 0.661 . . . . 0.0 110.186 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 129' ' ' ASP . 10.0 mm -67.89 -44.82 84.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 129' ' ' ASP . 90.0 mtm180 -65.17 -35.94 82.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.347 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.94 -40.15 75.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.74 -18.14 38.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.293 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 126' ' ' ARG . 68.2 t0 -96.54 121.95 38.92 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.44 -11.9 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.561 ' C ' ' H ' ' A' ' 133' ' ' ASP . 67.5 m-20 -86.32 -6.76 58.88 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 174.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.68 -8.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.732 0 CA-C-N 113.364 -1.743 . . . . 0.0 112.853 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' A' ' 131' ' ' ASP . 45.6 p-10 -41.99 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 88.79 1.42 80.2 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -130.76 148.52 52.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.45 118.92 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.569 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -84.99 160.08 20.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 58.7 t80 -52.12 -52.37 51.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.916 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CG ' ' ND2' ' A' ' 137' ' ' ASN . 21.2 pt-20 -52.16 -43.26 64.0 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.701 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.38 -39.42 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 38.8 t80 -62.09 -40.45 95.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.481 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 55.5 t -63.29 -41.72 93.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.158 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -60.41 -48.37 82.04 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.37 -41.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.818 0.342 . . . . 0.0 111.45 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -66.1 -43.67 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.666 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.479 179.828 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.79 -43.27 80.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.198 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 33.6 mp0 -63.46 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.98 -39.57 93.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.393 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.12 -43.91 98.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -63.46 -32.65 74.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.527 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.16 -43.58 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.45 98.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.347 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.27 -45.04 94.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.335 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -61.56 -32.47 72.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.39 -44.43 90.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.37 0.605 . . . . 0.0 109.644 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -62.81 -39.59 94.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.663 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.5 80.82 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 15.6 pttp -59.9 -43.39 94.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.368 0.604 . . . . 0.0 109.601 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 24.6 m-20 -63.41 -27.89 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.216 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 66.56 37.16 4.6 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.936 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -88.84 -3.15 58.83 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.933 0.396 . . . . 0.0 109.948 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.84 72.85 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -135.0 137.27 42.84 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -88.94 134.8 27.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 9.9 t -116.94 158.46 24.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.42 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.08 -40.54 70.49 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.7 58.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.676 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 63.4 mt-10 -65.67 -40.82 92.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.54 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.52 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . 55.9 ttp180 -63.76 -46.7 84.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CE1' HD22 ' A' ' 111' ' ' ASN . 41.2 t-80 -66.89 -43.41 83.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.012 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.96 -44.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.303 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -66.71 -27.52 67.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.614 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.0 m -73.53 -41.42 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.221 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.647 HD22 ' CE1' ' A' ' 107' ' ' HIS . 94.0 m-20 -65.54 -39.04 91.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.996 0.903 . . . . 0.0 108.873 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -50.99 -25.64 4.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.783 -1.553 . . . . 0.0 111.194 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.83 18.39 47.83 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 -177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -112.89 142.31 45.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 113.73 -1.235 . . . . 0.0 107.799 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -123.33 100.11 6.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.33 0.586 . . . . 0.0 111.414 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.1 mp -100.73 153.06 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.074 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -82.54 172.15 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.882 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.27 -38.47 91.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.786 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.53 -41.33 80.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.27 -44.12 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.76 -47.67 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.186 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.45 -49.1 74.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -55.64 -43.49 76.26 Favored 'General case' 0 CA--C 1.523 -0.07 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.94 -42.93 94.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.625 0.726 . . . . 0.0 110.168 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mm -68.64 -45.0 82.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -67.99 -36.24 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.096 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -70.2 -38.29 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.439 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.04 -18.23 50.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.915 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 4.6 m-20 -93.88 121.95 35.87 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.44 -13.07 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.557 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.625 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.3 m-20 -99.38 10.34 41.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 171.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.18 6.49 0.1 OUTLIER Glycine 0 C--N 1.357 1.743 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.68 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.625 ' H ' ' C ' ' A' ' 131' ' ' ASP . 85.5 m-20 -49.87 -22.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.535 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.4 3.18 88.77 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.449 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 26.7 mt-30 -123.31 136.22 54.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 136' ' ' ILE . 7.9 mm -99.53 109.71 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -77.81 160.3 28.43 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -48.93 -45.73 42.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.749 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.63 -41.81 99.23 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.348 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -66.56 -40.87 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.77 -38.54 88.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.931 0.872 . . . . 0.0 108.84 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.83 -40.75 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.403 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -60.37 -49.25 78.32 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.586 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.73 -43.35 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.627 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.71 -47.05 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.124 0.488 . . . . 0.0 110.972 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.7 mmm . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.443 -179.835 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -58.2 -37.64 75.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.257 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.18 -37.99 89.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.38 -40.5 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.221 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.2 tp -61.46 -43.54 98.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.223 0.535 . . . . 0.0 109.781 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -63.9 -32.28 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.61 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.46 -44.1 92.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.07 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.168 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.61 -45.47 91.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.22 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.79 -32.47 73.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.52 -43.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 109.939 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.21 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -87.81 89.11 7.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.02 -34.99 78.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.974 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 66.34 48.45 1.59 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.599 0.562 . . . . 0.0 111.775 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -109.69 6.36 23.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.192 0.52 . . . . 0.0 109.731 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.8 26.24 35.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 83.4 m-85 -153.98 126.41 8.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.567 0.222 . . . . 0.0 110.822 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.5 mt -89.85 128.54 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.714 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 5.8 p -106.75 157.98 17.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.519 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.81 87.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.536 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.77 -50.06 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.949 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.714 ' H ' ' HG ' ' A' ' 101' ' ' SER . 88.6 mt-10 -65.47 -40.42 93.14 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.863 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.15 -36.16 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.747 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.0 -42.85 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.057 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.1 m80 -64.69 -41.6 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.99 -40.77 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.1 mmt -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.497 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.3 p -75.55 -39.09 58.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 110.339 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.4 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.039 0.924 . . . . 0.0 108.862 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.41 -39.71 91.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.119 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.56 21.88 7.68 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -103.57 136.67 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -103.42 81.13 1.89 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.959 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 3.8 mm? -81.05 155.73 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.062 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.6 p -103.41 170.45 7.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.602 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -64.77 -40.07 94.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -69.43 -39.43 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.796 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -43.29 90.9 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.8 t -61.43 -49.15 85.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.052 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 126' ' ' ARG . 19.7 t70 -61.98 -48.04 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.051 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.71 -42.09 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 110.702 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.3 ttt -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.901 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.12 -50.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.263 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 122' ' ' ASP . 71.9 mtt85 -64.83 -37.17 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.704 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.65 -36.46 80.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.29 -20.84 26.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.339 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 126' ' ' ARG . 58.9 m-20 -99.32 127.67 45.36 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.302 0.2 OUTLIER -124.67 -5.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.972 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -95.53 -1.64 50.16 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.44 14.75 50.32 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.754 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 42.0 p-10 -53.82 -29.07 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.04 2.63 80.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.43 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 42.8 mt-30 -131.84 148.17 52.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.92 113.32 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.18 160.46 23.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.467 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 60.8 t80 -50.15 -59.16 4.2 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.179 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.91 -44.03 39.83 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.993 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.27 -39.91 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -61.41 -42.34 98.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 74.2 t -60.03 -43.79 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.446 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -44.55 95.92 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.081 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.24 -45.55 79.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.5 tpp -69.6 -41.5 75.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 110.973 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.691 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -56.46 -44.59 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.979 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -57.6 -41.06 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -62.66 -38.69 91.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.34 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.064 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.987 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' NZ ' ' OH ' ' A' ' 138' ' ' TYR . 60.8 mttp -63.58 -33.38 75.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.479 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -63.83 -43.78 95.18 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.343 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.08 -45.24 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.111 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.73 -34.02 76.32 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.886 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.17 -44.17 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.075 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -65.18 -38.85 91.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.273 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 45.1 t0 -84.55 88.11 7.3 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.545 ' HZ2' ' CE1' ' A' ' 107' ' ' HIS . 5.9 tppt? -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.261 179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 8.9 t0 -58.73 -31.08 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.55 45.96 7.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.625 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.472 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.8 p30 -111.43 7.05 20.67 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.029 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.1 23.86 33.65 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 88.7 m-85 -147.2 147.71 30.76 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.56 125.41 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.4 154.83 20.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.108 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.19 -42.48 77.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.26 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.808 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.27 -43.71 90.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.781 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.1 tp -65.03 -37.71 88.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.631 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 76.9 ttt-85 -61.8 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.923 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.545 ' CE1' ' HZ2' ' A' ' 94' ' ' LYS . 65.1 t-80 -66.19 -41.88 89.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.24 -43.78 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.193 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 mmt -65.77 -34.93 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -65.09 -45.29 85.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.214 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -64.84 -39.38 93.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.682 0.754 . . . . 0.0 109.382 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.44 -23.0 0.81 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.88 12.63 60.26 Favored Glycine 0 N--CA 1.46 0.237 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -109.97 141.47 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.005 -1.097 . . . . 0.0 108.419 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -122.02 98.31 5.88 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.009 0.433 . . . . 0.0 111.304 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 9.0 mp -98.03 155.14 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.986 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 63.3 m -79.87 166.59 21.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.6 -40.02 95.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.002 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -65.18 -40.39 94.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.475 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -66.39 -43.78 84.89 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.05 -47.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.9 -49.68 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.6 -44.1 76.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.693 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.44 -41.71 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.513 0.673 . . . . 0.0 109.878 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.3 mm -67.1 -46.84 83.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.456 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -67.63 -37.06 81.94 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.02 -33.26 75.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.97 -9.0 50.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.36 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.6 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 29.6 t0 -98.41 106.13 18.37 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 122.118 0.961 . . . . 0.0 110.029 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -36.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.368 -176.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 133' ' ' ASP . 43.7 m-20 -91.97 2.26 56.66 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 56.67 -2.12 0.09 OUTLIER Glycine 0 CA--C 1.535 1.338 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.527 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.596 ' H ' ' C ' ' A' ' 131' ' ' ASP . 40.8 p-10 -43.87 -19.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.703 0.252 . . . . 0.0 111.655 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.6 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 92.14 -0.72 72.61 Favored Glycine 0 N--CA 1.465 0.617 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.1 mm-40 -136.95 154.83 50.34 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 56.7 mt -113.7 118.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.67 170.62 14.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 56.4 t80 -59.22 -49.7 76.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.199 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 12.6 pt-20 -50.21 -48.01 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 109.961 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.482 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 38.0 tt0 -67.76 -38.17 83.1 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 14.0 t80 -60.66 -42.06 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 48.2 t -60.37 -44.66 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.686 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.47 -44.22 95.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.715 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 59.5 t -69.17 -44.23 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.021 0.439 . . . . 0.0 110.979 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 30.4 mmt -66.7 -40.67 88.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.284 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.5 ttp -65.49 -43.22 90.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.82 -99.22 0.34 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.315 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 m -59.3 -46.83 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.986 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.74 -39.53 81.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.63 -40.07 86.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.087 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -65.09 -46.99 78.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.415 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 57.8 tp -57.46 -46.15 83.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.229 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -63.26 -31.11 72.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.682 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.49 -42.67 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.235 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.36 -44.95 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.035 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.9 ttp85 -59.52 -33.05 70.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.242 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.59 -45.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.237 0.541 . . . . 0.0 109.541 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.23 -41.49 99.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.613 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.55 86.66 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.076 0.465 . . . . 0.0 112.069 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.65 -46.03 91.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.669 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -62.6 -45.2 93.97 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.22 50.23 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.885 0.741 . . . . 0.0 110.901 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.727 ' ND2' ' H ' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -105.66 7.37 32.63 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.65 63.76 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.727 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 25.4 m-85 -124.66 158.48 33.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 110.522 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.36 127.24 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -99.78 153.23 19.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.15 -42.86 73.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.07 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.84 -41.41 97.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.88 -38.91 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.281 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' ALA . 56.3 ttp180 -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.624 ' CE1' HD22 ' A' ' 111' ' ' ASN . 66.2 t-80 -65.83 -41.88 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.916 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.86 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.067 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 7.2 mmt -63.88 -36.65 84.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.0 m -63.58 -43.92 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.083 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.624 HD22 ' CE1' ' A' ' 107' ' ' HIS . 91.6 m-20 -60.72 -35.41 76.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.824 0.821 . . . . 0.0 109.123 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.43 91.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.118 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.81 16.14 20.35 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.493 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 96.6 mt-10 -98.09 135.42 39.79 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -116.66 90.38 3.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.502 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.1 mp -94.45 153.95 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.893 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 p -82.55 169.06 16.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.745 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.26 -40.31 95.8 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.82 -40.09 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.837 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -65.55 -44.81 85.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 119.763 -0.775 . . . . 0.0 108.938 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.17 -48.38 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.089 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.84 -49.97 68.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.274 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -54.88 -44.26 73.93 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.8 -42.05 95.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.573 0.701 . . . . 0.0 110.281 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.1 mm -66.42 -45.72 88.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.003 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -67.57 -35.86 79.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.239 0.543 . . . . 0.0 109.806 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -69.07 -39.87 78.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -76.74 -20.22 56.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.528 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.35 125.25 41.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.4 m -128.84 -19.22 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.067 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.2 p-10 -77.22 -11.89 59.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 71.44 72.6 0.9 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.221 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.0 p-10 -143.15 -26.28 0.59 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.544 0.211 . . . . 0.0 111.024 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.1 6.29 86.65 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -124.36 140.78 52.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.41 112.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.713 HD21 ' H ' ' A' ' 139' ' ' GLU . 3.2 t30 -81.37 164.14 22.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.418 ' N ' ' ND2' ' A' ' 137' ' ' ASN . 62.6 t80 -53.92 -46.34 71.46 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.908 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.713 ' H ' HD21 ' A' ' 137' ' ' ASN . 16.5 pt-20 -56.77 -42.62 79.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.853 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 32.1 tt0 -69.02 -38.32 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 75.0 t80 -59.2 -40.05 84.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.54 -41.52 91.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.058 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.37 -48.36 81.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.535 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 35.3 m -72.31 -40.47 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 111.665 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.487 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.7 ttm -70.35 -45.85 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.3 ttm -66.79 -42.26 86.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.577 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.735 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.715 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -58.75 -46.36 87.61 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.921 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.32 -39.26 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 87' ' ' GLU . 83.3 tt0 -62.88 -39.32 94.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 109.955 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -64.95 -40.38 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.134 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.05 97.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.209 0.528 . . . . 0.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.75 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.448 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.553 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.05 -45.28 86.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.01 96.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.892 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -45.06 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.442 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.49 ' NH2' ' OE1' ' A' ' 96' ' ' GLN . 13.3 mmm180 -61.95 -34.71 76.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.069 0.461 . . . . 0.0 110.382 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.53 -42.23 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.483 177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 -61.15 -40.55 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.369 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -83.12 92.3 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.49 -47.71 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.473 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.02 -36.2 81.58 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.003 0.43 . . . . 0.0 112.121 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.67 43.77 0.23 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.591 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.76 6.0 49.53 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.712 -0.618 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 -4.85 79.8 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -127.06 159.11 35.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.4 HD13 HG23 ' A' ' 100' ' ' ILE . 89.4 mt -115.12 127.08 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.22 151.42 23.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.181 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.09 52.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.57 78.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.536 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -67.23 -45.01 78.06 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.909 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.434 ' O ' ' OG1' ' A' ' 110' ' ' THR . 68.8 ttt180 -63.53 -43.06 98.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.826 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -64.24 -45.97 85.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.42 -40.62 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 109.953 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.31 -38.95 92.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.717 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.2 m -62.95 -41.11 99.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.953 0.406 . . . . 0.0 110.124 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.03 -31.38 71.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.673 0.749 . . . . 0.0 109.352 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -39.94 84.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.08 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.93 22.26 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 107.621 -2.192 . . . . 0.0 107.621 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.17 133.77 47.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.953 -1.123 . . . . 0.0 108.246 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -111.99 92.62 4.1 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 110.908 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 5.7 mp -89.74 147.24 23.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.945 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 118' ' ' ASP . 65.6 m -77.03 168.04 20.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.402 ' N ' ' CG2' ' A' ' 117' ' ' THR . 33.2 t70 -62.51 -40.03 95.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.94 -37.37 84.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.28 -45.23 77.21 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.27 -49.51 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.251 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.85 -49.02 76.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 110.885 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.64 -41.45 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.772 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -65.14 -42.88 93.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.485 0.659 . . . . 0.0 110.101 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.407 HG21 HD12 ' A' ' 125' ' ' ILE . 21.8 mm -66.2 -44.69 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.459 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 129' ' ' ASP . 2.6 mpt_? -68.56 -34.47 75.89 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -71.02 -41.8 70.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.49 -20.67 50.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 126' ' ' ARG . 46.1 t0 -100.48 125.17 46.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -11.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.59 -12.07 56.54 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.8 -1.66 21.63 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.984 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.538 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 56.1 m-20 -42.29 -26.62 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.762 -0.258 . . . . 0.0 111.087 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.32 69.7 Favored Glycine 0 N--CA 1.466 0.687 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -140.64 159.79 41.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.21 115.06 45.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.93 167.73 18.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 65.9 t80 -56.19 -48.47 76.3 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.674 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -54.28 -45.21 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.515 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 -36.77 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.436 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 61.5 t80 -60.35 -42.69 96.24 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 54.6 t -63.68 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.803 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.4 -48.76 79.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.78 -39.55 59.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.436 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 9.7 mmt -70.28 -45.9 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.0 ttm -66.97 -39.98 87.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -61.34 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 147' ' ' ALA . 86.4 tttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.5 m -57.64 -44.48 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -57.07 -40.05 76.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.26 -37.25 86.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 109.884 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -65.73 -41.23 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.27 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.03 -44.15 97.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 0.0 109.832 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.559 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 64.9 mttm -63.83 -31.58 72.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.668 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.9 -44.31 89.99 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.31 98.22 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.485 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.73 -46.51 87.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.295 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.747 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.3 -44.36 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.262 0.553 . . . . 0.0 109.76 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -63.72 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.341 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 27.4 t0 -98.57 80.51 2.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.886 0.374 . . . . 0.0 111.978 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HZ3' ' CG ' ' A' ' 107' ' ' HIS . 60.5 pttt -60.11 -38.57 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 35.5 t0 -55.55 -23.45 26.76 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.366 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 95' ' ' ASP . 0.6 OUTLIER 61.52 31.49 18.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -98.96 -4.3 33.03 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.3 28.59 24.66 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 69.2 m-85 -152.46 132.96 13.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 100' ' ' ILE . 78.7 mt -91.43 123.1 43.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 p -108.19 158.05 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.2 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -57.16 -42.25 80.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.76 -51.01 71.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.88 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 77.2 mt-10 -65.64 -42.26 91.67 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.497 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -65.1 -37.0 86.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.188 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.6 ttp180 -63.81 -43.09 97.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.021 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 52.7 m80 -65.59 -41.49 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.2 t -67.7 -40.63 84.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.416 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.1 mmt -66.88 -31.49 72.12 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 17.6 p -74.88 -38.51 61.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.385 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -65.21 -38.5 90.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 122.018 0.913 . . . . 0.0 108.882 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.51 -38.25 86.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.936 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.7 19.16 9.95 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -99.96 132.8 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 113.944 -1.128 . . . . 0.0 108.082 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -117.92 91.78 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.045 0.45 . . . . 0.0 110.95 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.9 mp -99.29 150.54 22.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.91 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -82.7 172.98 12.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.707 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.82 -37.42 86.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.809 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -68.66 -39.8 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.097 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.89 -44.36 85.49 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.81 -49.29 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.142 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.21 -48.71 72.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.07 -44.81 79.29 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.9 ttp -63.94 -42.48 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.531 0.682 . . . . 0.0 110.223 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mm -68.15 -43.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.605 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.73 -34.85 79.14 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.796 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -70.6 -40.65 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.738 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -14.57 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.71 116.93 30.88 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.353 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.01 -22.1 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.859 0.361 . . . . 0.0 110.3 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -94.73 -1.79 52.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.28 10.21 15.03 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -44.04 -20.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 86.77 -0.95 86.85 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -141.0 157.81 44.81 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.24 110.74 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -81.35 163.06 23.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.559 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 56.1 t80 -52.36 -46.53 66.17 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.85 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.5 -43.88 84.56 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.305 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.44 -38.53 87.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.995 0.426 . . . . 0.0 109.908 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 44.7 t80 -62.18 -37.84 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.812 0.815 . . . . 0.0 109.253 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.59 -42.06 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.741 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.39 -47.9 82.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.742 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.28 -45.27 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.521 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.405 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.3 ttm -64.04 -46.34 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.35 -41.2 94.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.03 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.737 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -58.61 -46.84 86.16 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.901 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.29 -41.04 83.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.256 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -62.38 -40.43 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 109.884 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.93 -44.21 90.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.5 tp -57.29 -44.41 84.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.96 -31.31 72.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.526 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -66.62 -42.42 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.499 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.68 -47.85 84.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.482 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -61.36 -33.33 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.146 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.55 -44.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.977 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.54 -40.76 97.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.127 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 67.1 t0 -90.66 89.41 7.51 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 0.5 OUTLIER -56.65 -41.94 78.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.909 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 22.0 m-20 -66.38 -23.91 66.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.767 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 45.53 49.21 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.078 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -99.61 1.58 43.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.682 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.1 15.28 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 89.2 m-85 -151.05 150.98 31.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.657 0.265 . . . . 0.0 110.645 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 100' ' ' ILE . 88.2 mt -115.36 129.66 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 t -116.23 154.91 29.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.064 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.27 -40.56 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -55.52 20.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.66 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.5 mt-10 -62.8 -42.1 99.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.863 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' A' ' 109' ' ' MET . 3.9 tp -62.37 -40.56 96.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.656 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 102' ' ' ALA . 77.6 ttt-85 -65.99 -43.65 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.068 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -67.12 -45.1 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 68.9 t -64.41 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.148 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.18 -35.15 80.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.889 178.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 99.7 m -63.21 -45.12 93.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.818 179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.03 -37.52 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -41.79 97.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.176 -1.375 . . . . 0.0 110.139 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.78 57.21 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -111.0 76.15 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 113.691 -1.254 . . . . 0.0 108.48 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -104.46 139.94 38.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.068 0.461 . . . . 0.0 110.744 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.577 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -111.44 -174.71 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.673 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.1 p -74.17 168.46 19.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.573 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.53 -40.44 96.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.733 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -67.43 -36.15 80.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -68.96 -46.01 69.24 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.19 -49.43 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.964 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.33 -49.38 67.19 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.844 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -56.24 -42.13 76.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.4 ttp -64.54 -41.61 96.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.368 0.604 . . . . 0.0 110.195 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.38 -45.88 84.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.098 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 129' ' ' ASP . 96.5 mtt180 -67.19 -33.71 75.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.27 0.557 . . . . 0.0 110.043 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.84 -34.09 73.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.273 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.53 40.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.324 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 66.5 t0 -101.59 123.82 46.23 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.65 -8.92 6.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' A' ' 133' ' ' ASP . 61.1 m-20 -90.91 -2.51 57.72 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.05 -2.1 0.28 Allowed Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.764 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.6 p-10 -45.93 -24.88 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 111.168 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.539 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 93.56 2.12 65.61 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -136.12 152.65 51.06 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.3 mp -109.79 119.41 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -80.17 168.21 19.39 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.048 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 141' ' ' PHE . 71.9 t80 -52.46 -65.77 0.5 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.977 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.4 pt-20 -42.51 -45.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.046 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 74.6 tt0 -67.52 -36.83 81.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 138' ' ' TYR . 39.6 t80 -62.52 -37.04 84.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.38 -41.01 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.923 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -48.73 80.48 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.4 m -73.47 -39.6 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.4 tpp -69.78 -44.82 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.505 . . . . 0.0 110.681 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.74 -39.51 84.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.573 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.441 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 t -48.29 -43.22 32.71 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.058 0.456 . . . . 0.0 109.934 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.27 -40.06 80.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.573 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.162 0.506 . . . . 0.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -65.53 -41.27 93.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.98 -43.3 95.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.899 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -63.75 -32.36 73.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.52 -43.05 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.3 91.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.538 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.72 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.588 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 38.2 t -66.18 -46.27 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.748 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -60.09 -41.8 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.177 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 43.9 t0 -81.29 92.22 6.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.576 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.01 -46.9 81.97 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.82 -39.52 83.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.669 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 tt0 70.05 51.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.62 3.42 21.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.091 0.472 . . . . 0.0 110.118 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 93.62 29.71 9.75 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 81.6 m-85 -156.13 154.9 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.49 129.82 74.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.792 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 4.2 p -111.49 154.05 25.29 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.044 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.98 -41.19 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.57 67.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.488 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.792 ' H ' ' HG ' ' A' ' 101' ' ' SER . 47.6 mt-10 -62.5 -44.18 97.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.498 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.2 tp -63.65 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 80.3 ttt180 -65.0 -42.72 94.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.984 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -66.83 -43.75 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.21 -43.46 95.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.52 -33.9 77.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.096 0.474 . . . . 0.0 109.822 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.8 m -65.36 -45.62 83.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.901 0.858 . . . . 0.0 108.878 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -41.96 79.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.417 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.03 11.32 Favored Glycine 0 N--CA 1.459 0.183 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -99.91 137.78 37.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.37 88.61 2.94 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.165 0.507 . . . . 0.0 111.098 -178.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.0 mp -87.28 165.93 15.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.89 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.402 ' CG2' ' H ' ' A' ' 120' ' ' GLU . 14.3 t -103.23 170.42 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.613 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 36.2 p-10 -60.61 -40.08 90.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 41.8 tt0 -64.03 -43.61 95.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.417 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.402 ' H ' ' CG2' ' A' ' 117' ' ' THR . 61.7 mm-40 -65.78 -46.91 76.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.49 -48.53 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.73 -49.94 64.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -55.28 -45.37 76.2 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.759 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -64.14 -43.29 95.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.401 0.62 . . . . 0.0 110.225 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -67.73 -45.63 84.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.219 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.44 -35.23 79.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 110.205 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -69.93 -38.73 76.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.517 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.8 -13.06 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.99 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.54 127.99 54.87 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.479 0.657 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.61 -12.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 C-N-CA 124.348 1.059 . . . . 0.0 109.568 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -94.5 -10.46 32.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.9 11.77 61.25 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 113.745 -1.571 . . . . 0.0 111.739 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 40.2 p-10 -54.59 -33.74 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 101.22 0.98 54.22 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 2.9 mp0 -143.08 160.81 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 8.7 mm -99.42 117.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 1.1 m-20 -78.18 163.68 25.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -54.09 -50.7 66.22 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.228 -178.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.3 pt-20 -57.64 -44.02 85.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.867 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 33.0 tt0 -64.47 -35.28 80.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.579 . . . . 0.0 109.773 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -63.92 -40.86 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.406 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.1 t -60.88 -43.72 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.89 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.35 -46.18 91.32 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.338 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 84.8 t -69.48 -44.2 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.335 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 31.1 mmt -65.43 -42.66 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.581 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.432 ' C ' ' H ' ' A' ' 148' ' ' LYS . 69.8 mmm -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.565 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.29 -3.4 1.9 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.725 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 146' ' ' MET . 30.7 mmtp . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.509 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 81' ' ' SER . 30.6 p30 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.537 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.6 m -59.24 -47.08 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.183 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.21 -42.66 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 56.0 mp0 -63.39 -38.91 92.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -64.93 -40.54 95.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.323 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.45 -43.82 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.188 0.518 . . . . 0.0 110.039 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.558 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.8 mttm -63.68 -32.11 73.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.18 -43.47 91.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.59 97.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.382 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.43 -45.55 93.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.382 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 65.7 ttp85 -61.81 -33.63 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.48 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.85 -45.6 87.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.337 0.589 . . . . 0.0 109.861 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.7 -40.31 96.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.362 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.526 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 44.1 t0 -83.23 88.89 6.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -177.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -62.41 -47.79 82.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 50.5 m-20 -62.88 -19.01 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.313 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 42.0 mm-40 53.1 42.03 32.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -103.19 6.76 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.136 0.88 . . . . 0.0 110.109 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.78 27.2 32.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 78.3 m-85 -150.97 151.21 31.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.535 -0.332 . . . . 0.0 110.347 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -113.73 127.65 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.7 t -112.26 156.6 22.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.986 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.14 67.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.08 40.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.632 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 72.5 mt-10 -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.633 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.513 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.3 tp -61.43 -41.07 96.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.739 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -66.25 -42.49 88.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.09 -46.03 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.448 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.37 -42.98 96.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.188 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.581 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -64.32 -34.79 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.578 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.3 m -65.7 -43.23 89.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 110.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.85 -37.07 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.854 0.835 . . . . 0.0 108.911 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -42.48 81.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.083 -1.417 . . . . 0.0 110.308 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.81 20.82 9.58 Favored Glycine 0 N--CA 1.46 0.256 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.82 140.04 37.61 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.2 89.74 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.441 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.5 mp -92.62 152.33 19.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.964 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.514 HG21 ' H ' ' A' ' 120' ' ' GLU . 14.0 t -88.64 171.55 9.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.94 -40.41 97.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.083 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.03 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.427 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.514 ' H ' HG21 ' A' ' 117' ' ' THR . 60.0 mm-40 -66.51 -44.89 81.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.6 -50.25 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.209 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.46 -48.67 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -54.79 -43.92 73.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.966 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.85 -43.13 89.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.464 0.649 . . . . 0.0 110.52 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 21.1 mm -66.44 -44.59 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.606 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -68.95 -34.17 74.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.187 0.518 . . . . 0.0 110.113 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -70.29 -39.68 74.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.21 -11.98 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 31.6 m-20 -97.63 115.4 27.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.867 0.365 . . . . 0.0 111.071 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -105.58 -26.01 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.922 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.282 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.569 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.0 m-20 -90.14 -3.68 57.75 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 61.92 -5.89 0.31 Allowed Glycine 0 CA--C 1.533 1.177 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.569 ' H ' ' C ' ' A' ' 131' ' ' ASP . 47.5 p-10 -43.2 -23.82 0.06 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.837 0.351 . . . . 0.0 110.685 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 132' ' ' GLY . . . 92.34 3.15 67.43 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.39 155.2 49.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.61 115.9 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 20.9 t-20 -81.06 167.94 19.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.558 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 68.2 t80 -54.37 -61.9 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.252 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -40.3 -46.09 2.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.171 0.51 . . . . 0.0 111.174 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -69.18 -39.33 78.76 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.934 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 138' ' ' TYR . 23.9 t80 -59.87 -26.12 65.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.139 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.2 -39.77 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.392 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.53 -46.67 88.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.058 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 147' ' ' ALA . 0.3 OUTLIER -74.93 -43.75 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.712 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 23.9 mmt -61.29 -45.29 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.463 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 97.7 mmm -67.83 -48.36 66.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.85 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 144' ' ' VAL . . . -128.89 147.64 50.84 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.18 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.352 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -57.5 -46.4 83.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 109.986 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.86 -40.97 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.282 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.05 -39.06 93.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 109.833 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.63 -40.67 95.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.523 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.089 0.471 . . . . 0.0 110.085 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -63.27 -33.05 74.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.15 -42.37 93.84 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.59 97.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.348 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.62 -45.7 91.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -63.27 -34.36 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.51 -45.65 88.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.697 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -62.65 -40.97 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.286 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 46.2 t0 -86.85 83.83 7.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.034 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.653 ' HZ2' ' CG ' ' A' ' 107' ' ' HIS . 97.4 mttt -61.13 -42.68 98.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.645 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.51 -19.51 64.83 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.316 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 52.82 39.52 29.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.133 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.63 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -101.65 6.88 42.18 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 178.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.456 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 85.64 28.84 28.37 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 91.5 m-85 -151.52 151.91 32.24 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 100' ' ' ILE . 80.0 mt -114.39 127.28 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.0 p -108.03 153.95 22.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -53.21 -40.17 64.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.65 -51.07 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.708 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -65.95 -43.11 88.94 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.706 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.9 tp -63.25 -40.89 98.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.298 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 60.7 ttp180 -62.64 -43.44 98.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.653 ' CG ' ' HZ2' ' A' ' 94' ' ' LYS . 2.5 t-80 -67.52 -42.96 81.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.113 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.65 -44.12 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.074 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -69.41 -43.86 72.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.392 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.19 -40.0 94.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.939 0.876 . . . . 0.0 109.25 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 -39.34 91.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.99 13.79 9.82 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 109' ' ' MET . 73.9 mm-40 -103.49 126.63 50.76 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 113.973 -1.114 . . . . 0.0 108.18 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -119.63 101.3 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.973 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.0 mp -96.99 151.26 19.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.059 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 118' ' ' ASP . 77.2 m -76.41 168.03 20.79 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.767 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.442 ' N ' ' CG2' ' A' ' 117' ' ' THR . 66.9 t0 -63.39 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' H ' HG22 ' A' ' 117' ' ' THR . 82.5 tt0 -66.86 -40.21 87.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.974 -179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -66.37 -44.04 84.25 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.01 -49.38 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -63.29 -47.28 82.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.26 -41.41 79.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.79 0.329 . . . . 0.0 110.726 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.9 ttp -63.49 -41.63 98.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.639 . . . . 0.0 110.114 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.27 -46.81 83.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.478 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.123 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -70.8 -42.55 70.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.613 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -74.22 -21.25 59.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.4 t0 -91.91 118.96 31.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.453 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -121.72 -22.89 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.922 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.7 p30 -83.87 -11.01 57.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 68.38 74.83 0.56 Allowed Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.417 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 30.7 p-10 -128.7 -27.62 2.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.626 0.251 . . . . 0.0 111.229 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.8 4.01 73.18 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.417 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 57.5 mt-30 -135.91 152.73 51.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.1 mm -104.21 112.87 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.1 OUTLIER -80.54 168.03 19.4 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -56.11 -49.38 74.04 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.871 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.44 -48.19 77.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 37.3 tt0 -64.25 -36.82 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 36.8 t80 -63.14 -44.3 95.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.02 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 146' ' ' MET . 43.1 t -58.36 -45.41 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.566 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -43.8 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.866 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 74.2 t -68.72 -43.86 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -76.78 -39.57 51.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -178.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 45.9 ttp -69.48 -47.76 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.05 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.401 ' O ' ' OXT' ' A' ' 148' ' ' LYS . . . -105.79 -99.98 0.33 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.401 ' OXT' ' O ' ' A' ' 147' ' ' ALA . 30.8 mmtp . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.633 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -41.96 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.234 0.54 . . . . 0.0 110.099 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' O ' ' OE1' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -54.61 -47.6 73.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.169 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -59.83 -38.58 82.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.175 0.512 . . . . 0.0 109.738 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 16.8 tp10 -65.61 -44.46 86.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.717 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.05 -45.22 87.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.705 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.75 -33.46 75.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.755 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 65.5 mm-40 -61.71 -45.33 94.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.212 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.81 -45.1 93.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.529 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 74.4 mtm180 -62.9 -32.91 74.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.644 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 48.6 t -64.87 -44.87 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.28 0.562 . . . . 0.0 109.485 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.598 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -84.19 88.45 7.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.29 -46.94 85.15 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 48.2 m-20 -66.8 -40.09 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 73.76 49.39 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.78 0.675 . . . . 0.0 111.889 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.58 5.64 23.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.127 0.489 . . . . 0.0 109.959 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.49 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 88.93 24.55 32.01 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.459 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 71.6 m-85 -148.52 147.98 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.162 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.62 124.72 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -104.95 154.91 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.281 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -53.53 -40.64 65.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.64 -50.46 68.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.512 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 72.1 mt-10 -66.32 -43.04 87.29 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.66 -40.89 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.01 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.441 ' O ' ' OG1' ' A' ' 110' ' ' THR . 77.2 ttt-85 -64.78 -43.18 94.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.88 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -65.85 -42.58 90.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.12 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.69 -42.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.227 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.06 -34.34 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.93 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.5 m -67.93 -42.89 80.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.2 -38.15 76.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.919 0.866 . . . . 0.0 108.799 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -54.42 39.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.58 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.74 21.08 5.85 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 108.469 -1.853 . . . . 0.0 108.469 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.98 87.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.876 -1.162 . . . . 0.0 108.102 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.71 156.17 17.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.19 171.47 7.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.755 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.439 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 9.4 p -78.59 172.32 13.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.8 178.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.865 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.077 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.83 -44.27 86.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.011 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.1 -49.97 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.957 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -63.45 -48.59 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -55.25 -44.18 75.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.913 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -65.79 -42.98 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.47 0.652 . . . . 0.0 110.36 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 20.1 mm -66.99 -44.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 1.4 mmp_? -69.88 -34.42 73.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.552 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -72.11 -41.05 67.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.567 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -77.19 -19.23 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 19.6 m-20 -90.92 118.85 30.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.954 0.407 . . . . 0.0 111.951 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.45 -17.7 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 121.224 0.535 . . . . 0.0 110.663 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 133' ' ' ASP . 17.1 m-20 -93.69 -5.08 49.37 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.72 0.0 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.195 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.2 p-10 -41.09 -21.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.827 0.346 . . . . 0.0 110.64 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 90.9 1.58 73.05 Favored Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -140.57 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.13 114.44 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 15.2 t-20 -82.68 164.71 20.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.517 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 68.9 t80 -54.17 -46.43 72.33 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.073 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 13.6 pt-20 -54.96 -43.71 73.71 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.819 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 30.2 tt0 -69.38 -41.14 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.137 0.494 . . . . 0.0 109.979 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.93 -35.88 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.035 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.0 t -69.92 -41.81 79.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.622 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -48.06 77.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.857 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 148' ' ' LYS . 9.8 p -70.41 -41.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.472 ' O ' ' CG ' ' A' ' 148' ' ' LYS . 42.7 tpp -69.86 -41.21 75.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.6 ttt -65.39 -42.46 92.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.42 -56.83 3.15 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.775 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 144' ' ' VAL . 37.0 mtmt . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.707 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.487 ' CG ' ' H ' ' A' ' 81' ' ' SER . 14.6 p-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.487 ' H ' ' CG ' ' A' ' 80' ' ' ASP . 70.5 m -59.92 -47.68 84.77 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.117 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.77 -37.33 76.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.75 -38.97 92.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.981 0.42 . . . . 0.0 109.889 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.58 -47.46 75.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.939 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.56 -44.81 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 62.2 mttm -64.32 -31.07 72.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.608 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.2 -45.01 90.18 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.33 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.223 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -60.29 -45.25 93.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.232 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -61.87 -33.66 74.6 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.82 -43.93 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.705 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -64.08 -39.64 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.413 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -86.11 85.98 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.174 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.444 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 13.3 m-20 -63.45 -33.7 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.178 0.513 . . . . 0.0 109.953 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.57 42.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.385 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.24 6.59 48.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.813 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.43 85.37 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 6.5 m-85 -131.73 134.85 46.33 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -84.84 130.85 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -107.38 153.99 21.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.373 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.52 68.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.74 79.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.543 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' OE2' ' N ' ' A' ' 95' ' ' ASP . 67.2 mt-10 -63.49 -41.52 98.55 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.743 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.22 -38.94 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.585 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -63.73 -45.35 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -65.88 -43.04 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.118 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.74 -42.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.852 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.49 -31.36 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.869 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.3 m -67.22 -43.72 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.114 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.64 -34.58 77.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.669 0.747 . . . . 0.0 109.258 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -42.49 90.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.34 -1.3 . . . . 0.0 110.259 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.23 26.15 8.46 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -101.18 143.96 30.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.036 . . . . 0.0 108.404 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.74 81.42 1.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.4 mp -87.98 166.26 14.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 118' ' ' ASP . 14.9 t -107.59 172.04 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.755 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.484 ' N ' ' HG1' ' A' ' 117' ' ' THR . 35.1 t70 -62.32 -38.6 90.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.089 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.43 -42.23 92.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.171 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 117' ' ' THR . 53.5 mm-40 -66.86 -45.91 76.68 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.13 -49.0 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.974 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.42 -47.93 77.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.31 -43.46 83.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.662 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -65.86 -44.0 86.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.42 0.628 . . . . 0.0 110.24 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.55 -44.47 86.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.328 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' ASP . 60.4 ttt85 -67.04 -35.44 79.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.559 . . . . 0.0 109.996 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -71.97 -46.56 56.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.506 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.95 -23.25 59.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 126' ' ' ARG . 52.2 t0 -96.83 124.29 40.76 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.88 -11.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 133' ' ' ASP . 69.0 m-20 -84.46 -7.95 59.12 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 174.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.01 -0.9 3.01 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-N 112.884 -1.962 . . . . 0.0 112.501 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 43.0 p-10 -43.48 -25.6 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.565 0.221 . . . . 0.0 110.967 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.3 0.36 63.23 Favored Glycine 0 N--CA 1.467 0.74 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 0.8 OUTLIER -140.35 156.23 46.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 116.0 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' CD1' ' A' ' 99' ' ' PHE . 9.9 m120 -79.63 158.91 26.94 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.44 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 58.6 t80 -51.6 -46.78 63.66 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.805 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.25 -43.16 87.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.661 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.33 -38.46 90.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.62 -44.17 97.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.418 ' O ' ' CB ' ' A' ' 146' ' ' MET . 77.5 t -58.19 -43.11 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.351 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.29 -46.68 89.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.272 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.23 -46.59 77.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.693 0.282 . . . . 0.0 111.484 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 mmt -68.71 -45.02 72.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 44.7 ttm -62.85 -39.28 93.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.299 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.09 2.7 17.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.746 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.542 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 m -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 109.975 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 8.7 tm-20 -56.88 -42.07 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.85 -38.02 89.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 109.883 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -65.22 -38.53 90.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.04 -44.11 97.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.014 0.435 . . . . 0.0 109.955 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.32 -32.65 74.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.568 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -63.82 -44.35 93.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.366 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.64 -46.83 86.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.42 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -64.85 -33.07 75.13 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.374 179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.65 -45.09 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.923 178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -60.5 -38.94 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.253 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.472 ' OD1' ' OE2' ' A' ' 104' ' ' GLU . 49.3 t0 -84.27 95.16 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -48.18 82.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 14.3 m-20 -65.68 -42.9 90.73 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.368 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.463 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 7.3 tt0 74.88 51.2 0.08 Allowed 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.891 0.745 . . . . 0.0 112.344 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -109.06 9.91 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.53 26.22 30.75 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.459 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 88.6 m-85 -151.06 151.55 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.94 126.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -107.29 156.15 19.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.168 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.54 69.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.56 67.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.423 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 68.7 mt-10 -64.3 -42.13 96.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.713 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.81 -40.07 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -62.42 -43.46 98.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.999 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.93 -45.28 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.63 -42.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.122 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.78 -34.75 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.6 m -67.8 -40.09 83.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.295 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.3 -35.04 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.934 0.873 . . . . 0.0 109.181 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -34.32 65.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.576 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.53 16.73 33.31 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -110.67 138.24 47.32 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -116.56 100.27 7.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.485 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 7.5 mp -98.53 147.54 24.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.828 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.583 ' HG1' ' H ' ' A' ' 118' ' ' ASP . 12.8 t -81.96 175.6 10.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.724 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.583 ' H ' ' HG1' ' A' ' 117' ' ' THR . 13.6 m-20 -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.91 -41.54 91.29 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.411 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.447 ' H ' HG23 ' A' ' 117' ' ' THR . 58.1 mm-40 -66.48 -45.93 78.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.17 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.133 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.9 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.017 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -55.46 -42.91 74.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.9 ttt -65.17 -42.38 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.467 0.651 . . . . 0.0 110.113 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 5.3 mm -66.48 -44.23 90.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.562 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 126' ' ' ARG . 60.7 ttm-85 -69.71 -35.46 75.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.153 0.501 . . . . 0.0 110.092 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -69.18 -39.04 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.417 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.61 -13.16 59.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.345 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 29.7 m-20 -100.89 119.91 39.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.6 p -105.96 -18.59 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.035 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' A' ' 133' ' ' ASP . 37.8 p30 -101.3 1.01 38.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.21 9.07 1.87 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.689 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 50.3 p-10 -48.11 -23.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.729 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 90.0 -0.47 79.09 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -131.64 147.57 52.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -100.4 118.38 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.61 HD21 ' CG ' ' A' ' 139' ' ' GLU . 0.6 OUTLIER -82.8 158.61 22.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.402 ' OH ' ' OE2' ' A' ' 82' ' ' GLU . 51.3 t80 -51.51 -52.15 49.19 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.093 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 137' ' ' ASN . 15.5 pt-20 -53.86 -42.69 68.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.917 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 36.6 tt0 -64.41 -39.55 94.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.124 0.488 . . . . 0.0 109.835 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.85 -42.28 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.186 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 146' ' ' MET . 55.0 t -59.8 -42.91 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.173 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.71 -45.87 92.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 81.7 t -68.86 -43.5 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.784 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.215 0.531 . . . . 0.0 111.163 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 10.5 tpp -65.52 -43.05 91.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.549 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.53 -61.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.578 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 52.0 tttp . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.429 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 81' ' ' SER . 46.5 t0 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 5.5 t -59.15 -49.73 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.181 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.37 -48.69 71.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -60.72 -39.41 88.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 0.0 109.989 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.79 -47.38 75.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.027 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.07 -45.65 64.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -64.04 -33.27 75.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.04 -42.78 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.235 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.487 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -60.99 -33.87 73.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.128 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.61 -46.0 93.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.55 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -62.05 -41.47 98.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.757 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -87.21 84.27 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.636 ' HZ1' ' CG ' ' A' ' 107' ' ' HIS . 56.5 mtpt -58.74 -44.45 90.51 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.18 -40.27 90.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.646 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 71.43 49.53 0.3 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.702 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.761 ' ND2' ' H ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -103.03 4.75 37.62 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.151 0.5 . . . . 0.0 109.914 179.085 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.8 68.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.761 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 18.4 m-85 -127.43 128.92 46.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.1 mt -82.35 130.56 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 m -97.55 149.27 22.38 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.244 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.13 71.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.31 -48.03 83.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.579 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -67.24 -40.46 86.32 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.721 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.77 -37.45 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.853 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -65.05 -43.77 91.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.808 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.636 ' CG ' ' HZ1' ' A' ' 94' ' ' LYS . 11.1 t60 -66.72 -42.12 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 63.5 t -62.62 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.261 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.23 -28.89 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.035 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.9 m -72.05 -42.4 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.426 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -65.37 -39.52 92.41 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.896 0.855 . . . . 0.0 109.188 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -46.91 -22.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.63 -1.623 . . . . 0.0 110.845 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.19 17.38 55.85 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -109.24 141.88 40.89 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 91.77 3.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.136 0.494 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 6.0 mp -92.45 150.52 20.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.357 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.403 HG21 ' H ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -86.32 169.78 12.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.667 178.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -62.84 -37.6 87.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.003 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.9 -43.93 91.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.509 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' H ' HG21 ' A' ' 117' ' ' THR . 63.8 mm-40 -65.61 -45.35 83.47 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.42 -49.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.218 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.37 -46.48 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -57.31 -43.04 82.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.79 0.328 . . . . 0.0 110.902 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.4 ttt -64.81 -42.46 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.035 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.9 mm -68.19 -44.16 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.416 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -68.84 -35.38 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.299 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -72.53 -46.46 54.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.273 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 44.8 m-20 -95.86 124.69 39.98 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.129 0.49 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 m -133.78 -20.14 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.596 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.78 -15.97 58.71 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 72.48 1.07 Allowed Glycine 0 CA--C 1.531 1.033 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.562 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 58.5 m-20 -128.27 -31.35 2.32 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.718 0.294 . . . . 0.0 111.204 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.5 2.03 65.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 7.1 mp0 -142.27 157.91 44.3 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -97.95 111.73 28.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 99' ' ' PHE . 24.7 t-20 -78.38 161.33 27.24 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -53.0 -47.34 68.34 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.881 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.7 pt-20 -57.05 -42.47 80.59 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.74 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 33.4 tt0 -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 145' ' ' MET . 45.9 t80 -58.3 -42.38 86.52 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 122.328 1.061 . . . . 0.0 109.109 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -61.94 -41.98 92.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.039 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -64.82 -49.18 71.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.285 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 145' ' ' MET . 7.3 p -74.6 -51.1 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.509 ' O ' ' SD ' ' A' ' 145' ' ' MET . 0.0 OUTLIER -57.79 -46.18 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 110.493 -178.376 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.3 tpp -66.12 -40.73 90.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -94.3 -118.15 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.316 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 147' ' ' ALA . 68.5 mttm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m -53.22 -44.03 67.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.248 0.547 . . . . 0.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 14.5 tm-20 -61.72 -34.92 76.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.738 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.51 -40.48 96.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.397 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.79 -36.92 83.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.852 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.95 -44.68 94.25 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.753 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -65.19 -31.34 72.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.96 -44.99 91.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.68 90.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.135 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.11 -46.04 90.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.291 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -60.94 -33.87 73.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.44 -45.28 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.144 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -63.44 -41.18 98.66 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.202 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -88.59 81.24 7.14 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.607 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -64.78 -45.96 84.13 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 34.9 m-20 -60.93 -20.85 62.78 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.048 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 61.86 28.79 17.62 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.649 0.593 . . . . 0.0 112.025 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -79.58 -3.58 47.64 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.02 -0.75 76.5 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.64 138.26 40.95 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -82.79 126.42 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 t -102.89 151.15 22.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.504 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.86 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.39 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.804 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 95' ' ' ASP . 74.8 mt-10 -66.95 -42.5 85.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.79 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.498 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.0 tp -62.13 -39.04 91.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.827 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.445 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt180 -67.93 -44.18 77.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.824 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -67.37 -44.89 77.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.87 -44.54 99.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.092 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.615 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.55 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 76.6 m -73.8 -43.03 60.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.23 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.65 -40.28 95.17 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.986 0.898 . . . . 0.0 108.983 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.28 -20.29 1.02 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.865 -1.516 . . . . 0.0 111.068 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.36 18.63 48.58 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 108.284 -1.926 . . . . 0.0 108.284 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -114.34 141.83 47.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.759 -1.22 . . . . 0.0 108.182 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -129.0 105.71 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.062 0.458 . . . . 0.0 111.089 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.8 mp -104.91 155.78 18.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.908 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.3 p -80.39 171.03 15.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.798 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.03 -40.55 98.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.816 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.98 -43.51 87.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.171 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.09 -43.09 99.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.52 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.014 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.52 -48.98 75.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.88 -46.2 78.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.48 -42.39 98.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.441 0.639 . . . . 0.0 110.173 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 9.9 mm -68.05 -45.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.154 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -65.97 -36.37 83.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.24 0.543 . . . . 0.0 110.161 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -68.97 -33.96 74.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -85.44 -15.94 41.33 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.885 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 7.7 m-20 -96.97 120.52 37.46 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -14.35 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.185 -0.947 . . . . 0.0 109.528 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 133' ' ' ASP . 45.3 p-10 -101.67 -2.56 30.04 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 54.53 11.14 2.47 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.426 -1.369 . . . . 0.0 109.84 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 131' ' ' ASP . 48.6 p-10 -43.58 -25.36 0.16 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.52 -0.63 59.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 2.0 pt20 -146.42 163.25 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.402 ' N ' ' CD1' ' A' ' 136' ' ' ILE . 1.5 mp -100.92 116.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 56.5 t-20 -78.61 160.1 27.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 53.2 t80 -53.12 -50.9 63.54 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.776 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.78 -42.58 68.43 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 39.1 tt0 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 37.8 t80 -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.84 -41.73 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.725 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.3 -49.52 75.3 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.008 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 147' ' ' ALA . 7.6 p -72.81 -45.36 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.43 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.404 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.4 ttm -62.94 -49.02 76.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.981 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.6 tpp -65.2 -47.08 78.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.632 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 144' ' ' VAL . . . -127.6 146.52 50.51 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.12 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.2 tptm . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.383 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 81' ' ' SER . 51.5 p30 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.464 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 62.3 m -58.39 -47.22 84.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.997 0.427 . . . . 0.0 110.044 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -56.4 -43.42 79.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.147 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.13 -39.25 89.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.962 0.41 . . . . 0.0 109.992 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.99 -40.54 96.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.368 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.79 -45.23 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.7 mttm -62.56 -34.16 76.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.704 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.65 -44.32 96.55 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.056 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.39 -40.75 87.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.623 HH21 ' NE2' ' A' ' 96' ' ' GLN . 30.9 mmm-85 -65.4 -34.44 78.31 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.15 -45.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 109.585 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -62.15 -40.69 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.706 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.32 87.36 6.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -57.69 -47.18 83.07 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 87.3 m-20 -66.86 -37.55 84.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.111 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.623 ' NE2' HH21 ' A' ' 90' ' ' ARG . 0.6 OUTLIER 73.31 49.06 0.15 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.558 178.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -112.33 7.32 19.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.418 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.61 27.21 27.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.459 -1.057 . . . . 0.0 110.459 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 86.4 m-85 -150.68 149.45 29.84 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.24 128.87 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.717 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 8.9 p -107.73 153.97 22.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.079 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.54 70.86 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -54.44 -51.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.525 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.717 ' H ' ' HG ' ' A' ' 101' ' ' SER . 98.5 mt-10 -65.48 -41.31 93.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.812 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.27 -37.54 85.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.89 -43.25 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.896 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 55.5 m80 -66.31 -43.93 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -63.78 -43.29 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.5 mmt -67.93 -30.7 70.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.1 m -68.21 -44.2 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.02 -38.29 90.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.858 0.837 . . . . 0.0 109.151 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.85 -29.36 40.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.667 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.06 36.16 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 107.738 -2.145 . . . . 0.0 107.738 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -110.25 137.37 48.07 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -121.97 101.4 7.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.55 0.69 . . . . 0.0 111.495 -178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 6.1 mp -100.29 151.17 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.114 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.4 p -80.53 170.9 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.737 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.63 -38.33 90.69 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.02 -43.31 83.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.202 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.51 -43.75 96.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.2 -46.92 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.8 -49.43 68.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.346 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.09 -42.66 86.11 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.711 0.291 . . . . 0.0 110.821 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.1 ttp -64.64 -42.58 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.521 0.676 . . . . 0.0 110.019 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -69.2 -44.51 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.31 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.82 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.0 109.926 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -72.77 -39.37 66.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.76 -18.2 58.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.134 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -97.1 118.88 34.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.275 53.4 t -111.92 -25.59 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.659 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -90.7 -5.82 55.27 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -177.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.94 6.49 45.23 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.644 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.17 -30.19 16.07 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.437 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 2.43 68.02 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -137.74 154.05 49.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 11.9 mm -98.52 114.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.7 ' ND2' ' H ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.83 162.11 21.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.42 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 64.8 t80 -51.29 -46.9 62.63 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.913 -177.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.42 ' CG ' ' OD1' ' A' ' 137' ' ' ASN . 15.3 pt-20 -60.67 -44.88 95.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.75 -42.36 95.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.522 . . . . 0.0 109.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.2 -43.52 95.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.218 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 146' ' ' MET . 62.2 t -60.21 -43.07 92.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.168 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -59.71 -46.7 88.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.7 t -67.82 -43.47 86.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.854 0.359 . . . . 0.0 111.634 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.9 tpp -73.83 -42.76 60.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 11.9 ttt -63.45 -39.15 93.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.285 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.28 -155.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.408 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.65 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' H3 ' ' H ' ' A' ' 81' ' ' SER . 98.1 m-20 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.426 ' H ' ' H3 ' ' A' ' 80' ' ' ASP . 67.8 m -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.998 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.48 -42.26 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.135 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.85 -44.18 90.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.94 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.85 -44.46 86.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.04 -33.05 74.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.28 -43.8 90.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.61 99.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.25 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.93 -44.81 94.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.229 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -62.74 -32.57 73.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.776 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.63 -44.38 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 109.932 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -64.14 -39.02 93.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.622 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -83.35 89.98 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.0 -47.54 79.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.065 0.46 . . . . 0.0 110.087 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 17.3 m-20 -68.36 -23.86 64.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.746 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 62.19 39.56 12.57 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.453 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.32 6.45 46.81 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.6 -1.313 . . . . 0.0 109.572 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.07 74.51 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.04 155.68 48.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.299 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 100' ' ' ILE . 81.0 mt -112.15 128.11 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -107.98 156.11 19.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.379 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -54.38 -41.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.06 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.443 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 68.0 mt-10 -64.73 -42.86 94.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.559 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.86 -41.56 97.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.134 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' O ' ' OG1' ' A' ' 110' ' ' THR . 61.8 ttp180 -64.3 -43.34 95.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.206 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CE1' HD22 ' A' ' 111' ' ' ASN . 58.6 t-80 -66.24 -46.28 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.73 -41.35 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.053 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.5 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 8.3 mmt -65.14 -35.23 80.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.646 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 27.0 m -64.14 -42.34 96.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.35 178.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.606 HD22 ' CE1' ' A' ' 107' ' ' HIS . 62.0 m-80 -61.58 -36.41 80.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.844 0.83 . . . . 0.0 109.131 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -41.52 83.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.26 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.81 15.9 17.16 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 94.5 mt-10 -97.52 134.77 40.31 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -119.59 91.67 3.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.95 0.405 . . . . 0.0 111.414 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.421 ' H ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -97.21 165.02 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.558 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.489 HG22 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -95.13 170.79 9.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.576 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 22.4 p-10 -64.28 -39.7 94.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.815 0.34 . . . . 0.0 110.205 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.83 -42.23 98.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.243 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.489 ' H ' HG22 ' A' ' 117' ' ' THR . 66.1 mm-40 -67.2 -43.37 82.28 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 49.7 t -59.63 -48.95 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.277 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.88 -49.26 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.122 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -55.1 -42.26 72.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.833 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 18.7 ttt -66.73 -42.69 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.413 0.625 . . . . 0.0 110.44 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 15.3 mm -67.06 -44.62 88.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.66 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -70.04 -34.49 73.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.165 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.82 -39.8 72.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -78.76 -16.43 57.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.106 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 35.3 m-20 -98.01 122.46 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.39 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.83 -12.81 4.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -81.64 -14.18 57.0 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.22 73.12 0.79 Allowed Glycine 0 CA--C 1.532 1.126 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 52.3 p-10 -135.08 -24.12 1.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.49 0.186 . . . . 0.0 111.375 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.21 7.67 84.77 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.461 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 28.9 mt-30 -134.4 153.87 51.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.9 mm -103.34 115.38 45.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.579 HD21 ' CG ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -82.27 160.66 22.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -52.33 -53.47 43.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.88 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.579 ' CG ' HD21 ' A' ' 137' ' ' ASN . 16.4 pt-20 -53.66 -41.61 66.99 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.758 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 38.3 tt0 -68.16 -38.69 82.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.55 -37.81 82.46 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.9 t -67.29 -41.88 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.256 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.09 -46.48 87.16 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.863 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.29 -42.92 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.474 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 tpp -66.26 -43.93 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.171 0.51 . . . . 0.0 110.857 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.95 -41.65 90.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.718 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -93.63 -123.45 0.09 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.45 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 147' ' ' ALA . 53.3 mtmt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.485 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -54.25 -45.17 72.31 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.147 0.498 . . . . 0.0 110.11 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.65 -35.41 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.76 -40.58 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.103 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.59 -40.0 88.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.165 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.74 -43.71 97.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -65.13 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.716 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.8 -44.42 89.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.38 90.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.04 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.89 -44.81 96.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.255 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -61.23 -34.78 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.423 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.2 -44.58 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.307 0.575 . . . . 0.0 109.674 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -62.22 -41.07 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.051 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 20.9 t0 -86.01 84.59 7.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -62.97 -49.07 76.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.211 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.464 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 11.1 m-20 -65.54 -34.66 78.78 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER 64.28 51.02 2.2 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.389 1.055 . . . . 0.0 112.413 177.159 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -97.07 8.34 44.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.701 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.9 -6.73 73.37 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 1.5 m-85 -129.02 170.03 13.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.1 mt -118.06 125.54 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 p -104.45 153.2 21.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.929 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.44 -38.34 58.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -55.49 -52.41 63.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.292 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.464 ' OE2' ' N ' ' A' ' 95' ' ' ASP . 68.8 mt-10 -64.13 -43.58 94.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 tt -63.92 -34.78 78.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.08 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 102' ' ' ALA . 59.0 ttp180 -67.55 -44.01 79.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.913 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.3 m80 -66.84 -41.79 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.956 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.26 -44.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.43 -28.47 69.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.59 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -73.39 -42.15 62.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.36 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.0 -39.34 91.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.783 0.802 . . . . 0.0 109.193 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.68 27.25 8.57 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -133.29 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -89.3 140.29 29.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.726 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.39 -174.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.634 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -84.01 166.81 17.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -62.81 -35.43 79.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.48 -34.61 63.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.852 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.35 -46.74 72.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -50.52 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.656 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.11 -46.97 84.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -43.06 82.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.626 0.251 . . . . 0.0 110.91 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.6 ttp -64.92 -42.88 94.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.527 0.679 . . . . 0.0 110.331 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -43.9 83.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.555 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 129' ' ' ASP . 62.6 ttp180 -68.96 -34.29 75.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.151 0.5 . . . . 0.0 110.148 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -73.29 -43.81 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.226 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -74.53 -17.27 60.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.344 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 46.2 t0 -104.26 125.33 50.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 122.056 0.932 . . . . 0.0 110.637 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 130' ' ' VAL . 31.3 m -124.37 -17.16 4.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.911 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 27.9 p30 -98.61 -6.99 28.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 134' ' ' GLY . . . 64.19 25.88 70.02 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.491 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 135' ' ' GLN . 33.3 p-10 -71.91 11.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 62.82 0.75 3.09 Favored Glycine 0 C--N 1.333 0.399 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 133' ' ' ASP . 73.2 mt-30 -143.41 -174.45 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.07 127.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -81.32 156.77 25.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 64.2 t80 -50.04 -57.18 8.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 1.8 pm0 -48.71 -45.17 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.642 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 128' ' ' ALA . 42.0 tt0 -64.54 -40.73 96.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.976 0.417 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.71 -42.56 97.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 58.9 t -60.24 -43.9 94.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.182 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.55 -45.14 94.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.921 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 -46.61 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 111.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.0 tpp -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.464 . . . . 0.0 111.005 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.76 -42.81 97.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.454 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.16 -62.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.485 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 81' ' ' SER . 41.1 p-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 8.5 p -61.14 -49.66 76.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -57.68 -44.28 85.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -61.13 -39.82 91.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 109.883 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.17 -38.48 90.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.382 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.89 -44.37 97.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 109.885 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.43 -32.22 73.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.97 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.335 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.96 -45.81 92.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.685 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -59.25 -33.13 70.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.123 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.6 t -65.6 -45.64 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.614 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.99 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.697 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 40.5 t0 -81.56 88.9 6.17 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -60.0 -46.93 87.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 26.4 m-20 -71.32 -9.79 58.71 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.844 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 95' ' ' ASP . 1.0 OUTLIER 42.13 48.2 4.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.153 0.908 . . . . 0.0 112.301 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -105.47 4.86 31.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.991 0.424 . . . . 0.0 110.547 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.94 23.79 34.29 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 72.5 m-85 -149.49 149.14 30.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.02 127.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -112.81 157.03 21.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.979 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.94 -43.83 63.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.05 -53.89 43.52 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.525 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 61.2 mt-10 -60.76 -43.63 97.76 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.21 -40.15 95.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.4 ttp180 -60.61 -42.99 97.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.71 -44.25 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.984 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 99.2 t -66.24 -43.68 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.019 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.2 mmt -63.15 -39.3 94.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.845 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -67.24 -43.98 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.256 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -61.68 -42.05 98.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.931 0.872 . . . . 0.0 109.15 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.59 -44.41 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.8 6.89 45.7 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.87 76.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 113.966 -1.117 . . . . 0.0 108.166 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -105.74 134.71 48.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.855 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.606 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -110.42 -175.99 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.963 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -70.09 169.11 14.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.604 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.91 -40.95 99.16 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.044 0.45 . . . . 0.0 110.015 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.4 mp0 -69.26 -36.39 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -66.14 -44.91 82.81 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.15 -47.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.997 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -67.56 -51.33 51.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.32 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -55.66 -41.12 73.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.744 0.307 . . . . 0.0 110.807 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 ttp -64.38 -41.38 96.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.502 0.668 . . . . 0.0 109.981 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.27 -45.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.255 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.83 -34.59 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.165 0.507 . . . . 0.0 110.102 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.21 -34.92 77.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.37 -13.84 57.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.229 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -102.03 124.01 46.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.11 -18.76 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.27 -14.35 59.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 73.67 0.75 Allowed Glycine 0 CA--C 1.532 1.107 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.413 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.4 p-10 -142.54 -26.13 0.63 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.96 5.95 70.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.97 150.03 52.19 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.7 mp -106.02 117.88 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -84.21 171.0 13.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -56.05 -45.85 79.12 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.935 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.9 pt-20 -57.85 -46.21 85.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.95 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 34.5 tt0 -67.02 -37.24 83.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.293 0.568 . . . . 0.0 110.018 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.87 -41.99 97.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.333 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.79 -43.6 95.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.087 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -63.28 -44.49 94.91 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.912 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.35 -42.16 84.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.644 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 ttm -71.42 -40.06 70.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.067 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 146' ' ' MET . 2.1 tmt? -63.19 -42.66 99.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.752 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.9 -122.96 0.15 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.187 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.503 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 m -58.45 -45.46 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.35 -38.03 89.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.095 0.474 . . . . 0.0 109.824 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.27 -38.26 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.063 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.7 tp -60.91 -44.47 97.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -64.05 -33.04 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.402 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -64.06 -44.61 91.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.94 95.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.361 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -59.63 -45.77 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.307 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -62.18 -32.69 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.22 -44.02 87.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.992 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.22 -38.36 90.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.096 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.03 88.49 7.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -45.88 89.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 9.3 t0 -61.84 -45.82 92.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER 77.54 47.18 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.269 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.51 HD21 ' N ' ' A' ' 98' ' ' GLY . 0.1 OUTLIER -111.27 9.07 21.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 179.062 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.51 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 88.36 21.4 44.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.493 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 77.7 m-85 -147.15 148.04 31.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.657 -0.271 . . . . 0.0 110.656 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.404 HD12 HG21 ' A' ' 100' ' ' ILE . 74.6 mt -112.69 116.2 51.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.567 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 7.2 t -92.3 155.15 18.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.598 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.567 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -57.13 -44.34 83.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.83 69.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.723 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -64.75 -40.44 95.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.746 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.55 -40.68 97.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.747 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -64.54 -42.08 95.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.02 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.447 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.4 m170 -65.06 -40.96 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.2 t -65.41 -40.84 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.246 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.3 mmt -64.19 -36.1 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.184 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 28.8 p -72.02 -41.85 67.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.261 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.97 -40.23 97.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 108.815 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.25 -26.81 66.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.32 14.36 35.88 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' MET . 66.4 mm-40 -106.51 135.26 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.092 -1.054 . . . . 0.0 108.595 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -121.3 99.79 6.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 111.23 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.8 mp -103.99 154.95 19.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.491 HG22 ' H ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -84.43 174.66 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.759 178.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.5 p-10 -63.02 -40.85 98.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 109.944 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.9 mt-10 -63.21 -43.46 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.172 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.491 ' H ' HG22 ' A' ' 117' ' ' THR . 65.7 mm-40 -66.35 -45.07 81.44 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.34 -48.56 87.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.232 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.2 -50.02 65.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.654 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.6 -45.03 77.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.489 0.661 . . . . 0.0 110.186 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 129' ' ' ASP . 10.0 mm -67.89 -44.82 84.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 129' ' ' ASP . 90.0 mtm180 -65.17 -35.94 82.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.347 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.94 -40.15 75.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.74 -18.14 38.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.293 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 126' ' ' ARG . 68.2 t0 -96.54 121.95 38.92 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.44 -11.9 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.561 ' C ' ' H ' ' A' ' 133' ' ' ASP . 67.5 m-20 -86.32 -6.76 58.88 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 174.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.68 -8.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.732 0 CA-C-N 113.364 -1.743 . . . . 0.0 112.853 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' A' ' 131' ' ' ASP . 45.6 p-10 -41.99 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 88.79 1.42 80.2 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -130.76 148.52 52.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.45 118.92 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.569 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.7 OUTLIER -84.99 160.08 20.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.165 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 58.7 t80 -52.12 -52.37 51.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.916 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CG ' ' ND2' ' A' ' 137' ' ' ASN . 21.2 pt-20 -52.16 -43.26 64.0 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.701 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.38 -39.42 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 38.8 t80 -62.09 -40.45 95.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.481 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 55.5 t -63.29 -41.72 93.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.158 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -60.41 -48.37 82.04 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.37 -41.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.818 0.342 . . . . 0.0 111.45 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -66.1 -43.67 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.666 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.2 ttp -67.67 -40.42 84.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -46.69 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.581 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.0 p30 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -58.19 -46.26 86.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.166 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.79 -43.27 80.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.198 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 33.6 mp0 -63.46 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.98 -39.57 93.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.393 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.7 tp -61.12 -43.91 98.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -63.46 -32.65 74.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.527 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.16 -43.58 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.45 98.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.347 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.27 -45.04 94.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.335 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -61.56 -32.47 72.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.39 -44.43 90.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.37 0.605 . . . . 0.0 109.644 178.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -62.81 -39.59 94.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.663 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.5 80.82 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 15.6 pttp -59.9 -43.39 94.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.368 0.604 . . . . 0.0 109.601 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 24.6 m-20 -63.41 -27.89 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.216 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 66.56 37.16 4.6 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.936 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -88.84 -3.15 58.83 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.933 0.396 . . . . 0.0 109.948 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.84 72.85 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -135.0 137.27 42.84 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -88.94 134.8 27.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.413 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 9.9 t -116.94 158.46 24.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.42 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.08 -40.54 70.49 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.7 58.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.676 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 63.4 mt-10 -65.67 -40.82 92.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.54 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.52 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . 55.9 ttp180 -63.76 -46.7 84.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.647 ' CE1' HD22 ' A' ' 111' ' ' ASN . 41.2 t-80 -66.89 -43.41 83.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.012 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.96 -44.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.303 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -66.71 -27.52 67.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.614 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 97.0 m -73.53 -41.42 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.221 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.647 HD22 ' CE1' ' A' ' 107' ' ' HIS . 94.0 m-20 -65.54 -39.04 91.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.996 0.903 . . . . 0.0 108.873 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -50.99 -25.64 4.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.783 -1.553 . . . . 0.0 111.194 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.83 18.39 47.83 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 -177.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -112.89 142.31 45.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 113.73 -1.235 . . . . 0.0 107.799 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -123.33 100.11 6.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.33 0.586 . . . . 0.0 111.414 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 116' ' ' LEU . 8.1 mp -100.73 153.06 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.074 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -82.54 172.15 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.882 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.27 -38.47 91.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.786 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.53 -41.33 80.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.27 -44.12 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.76 -47.67 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.186 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.45 -49.1 74.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -55.64 -43.49 76.26 Favored 'General case' 0 CA--C 1.523 -0.07 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.94 -42.93 94.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.625 0.726 . . . . 0.0 110.168 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mm -68.64 -45.0 82.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -67.99 -36.24 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.096 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -70.2 -38.29 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.439 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.04 -18.23 50.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.915 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 4.6 m-20 -93.88 121.95 35.87 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.44 -13.07 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.557 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.625 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.3 m-20 -99.38 10.34 41.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 171.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.18 6.49 0.1 OUTLIER Glycine 0 C--N 1.357 1.743 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.68 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.625 ' H ' ' C ' ' A' ' 131' ' ' ASP . 85.5 m-20 -49.87 -22.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.535 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.4 3.18 88.77 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.449 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 26.7 mt-30 -123.31 136.22 54.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 136' ' ' ILE . 7.9 mm -99.53 109.71 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -77.81 160.3 28.43 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -48.93 -45.73 42.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.749 -178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.63 -41.81 99.23 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.348 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -66.56 -40.87 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.77 -38.54 88.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.931 0.872 . . . . 0.0 108.84 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.2 t -66.83 -40.75 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.403 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -60.37 -49.25 78.32 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.586 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.73 -43.35 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.627 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 62.1 tpp -62.71 -47.05 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.124 0.488 . . . . 0.0 110.972 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.7 mmm -63.99 -41.11 97.6 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.443 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.19 -129.42 0.12 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.634 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 81' ' ' SER . 47.2 t0 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.455 ' H ' ' CG ' ' A' ' 80' ' ' ASP . 6.3 p -58.85 -46.33 87.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.143 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -58.2 -37.64 75.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.257 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.18 -37.99 89.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.38 -40.5 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.221 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.2 tp -61.46 -43.54 98.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.223 0.535 . . . . 0.0 109.781 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -63.9 -32.28 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.61 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.46 -44.1 92.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.07 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.168 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.61 -45.47 91.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.22 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.79 -32.47 73.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.52 -43.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 109.939 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.21 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -87.81 89.11 7.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.02 -34.99 78.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.974 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 66.34 48.45 1.59 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.599 0.562 . . . . 0.0 111.775 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -109.69 6.36 23.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.192 0.52 . . . . 0.0 109.731 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.8 26.24 35.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 83.4 m-85 -153.98 126.41 8.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.567 0.222 . . . . 0.0 110.822 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.5 mt -89.85 128.54 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.714 ' HG ' ' H ' ' A' ' 104' ' ' GLU . 5.8 p -106.75 157.98 17.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.519 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.81 87.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.536 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.77 -50.06 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.949 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.714 ' H ' ' HG ' ' A' ' 101' ' ' SER . 88.6 mt-10 -65.47 -40.42 93.14 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.863 179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.15 -36.16 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.747 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -65.0 -42.85 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.057 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.1 m80 -64.69 -41.6 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.99 -40.77 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.1 mmt -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.497 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.3 p -75.55 -39.09 58.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 110.339 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.4 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.039 0.924 . . . . 0.0 108.862 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.41 -39.71 91.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.119 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.56 21.88 7.68 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -103.57 136.67 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -103.42 81.13 1.89 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.959 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.402 ' N ' ' CD2' ' A' ' 116' ' ' LEU . 3.8 mm? -81.05 155.73 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.062 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.6 p -103.41 170.45 7.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.602 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -64.77 -40.07 94.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -69.43 -39.43 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.796 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -43.29 90.9 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.8 t -61.43 -49.15 85.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.052 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 126' ' ' ARG . 19.7 t70 -61.98 -48.04 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.051 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.71 -42.09 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 110.702 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.3 ttt -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.901 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.12 -50.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.263 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 122' ' ' ASP . 71.9 mtt85 -64.83 -37.17 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.704 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.65 -36.46 80.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.29 -20.84 26.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.339 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 126' ' ' ARG . 58.9 m-20 -99.32 127.67 45.36 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.302 0.2 OUTLIER -124.67 -5.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.972 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -95.53 -1.64 50.16 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.44 14.75 50.32 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.754 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 42.0 p-10 -53.82 -29.07 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.04 2.63 80.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.43 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 42.8 mt-30 -131.84 148.17 52.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 9.5 mm -101.92 113.32 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.18 160.46 23.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.467 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 60.8 t80 -50.15 -59.16 4.2 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.179 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.91 -44.03 39.83 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.993 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.27 -39.91 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -61.41 -42.34 98.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 74.2 t -60.03 -43.79 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.446 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -44.55 95.92 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.081 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.24 -45.55 79.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.5 tpp -69.6 -41.5 75.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 110.973 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.9 ttp -63.5 -41.79 98.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.691 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.22 -1.04 47.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.443 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG3' ' HZ3' ' A' ' 86' ' ' LYS . 46.1 tp10 -57.6 -41.06 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -62.66 -38.69 91.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.34 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.064 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.987 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.625 ' HZ3' ' HG3' ' A' ' 82' ' ' GLU . 60.8 mttp -63.58 -33.38 75.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.479 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.0 mt-10 -63.83 -43.78 95.18 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.343 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.08 -45.24 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.111 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.73 -34.02 76.32 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.886 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.9 t -67.17 -44.17 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.075 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -65.18 -38.85 91.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.273 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 45.1 t0 -84.55 88.11 7.3 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.261 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 8.9 t0 -58.73 -31.08 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.55 45.96 7.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.625 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.472 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.8 p30 -111.43 7.05 20.67 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.029 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.1 23.86 33.65 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 88.7 m-85 -147.2 147.71 30.76 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.56 125.41 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.4 154.83 20.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.108 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.19 -42.48 77.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.26 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.808 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.0 mt-10 -65.27 -43.71 90.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.781 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 125' ' ' ILE . 8.1 tp -65.03 -37.71 88.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.631 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 76.9 ttt-85 -61.8 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.923 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -66.19 -41.88 89.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.1 t -62.24 -43.78 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.193 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 mmt -65.77 -34.93 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -65.09 -45.29 85.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.214 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -64.84 -39.38 93.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.682 0.754 . . . . 0.0 109.382 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.44 -23.0 0.81 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.88 12.63 60.26 Favored Glycine 0 N--CA 1.46 0.237 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -109.97 141.47 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.005 -1.097 . . . . 0.0 108.419 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -122.02 98.31 5.88 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.009 0.433 . . . . 0.0 111.304 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 9.0 mp -98.03 155.14 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.986 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 118' ' ' ASP . 63.3 m -79.87 166.59 21.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.576 ' N ' HG22 ' A' ' 117' ' ' THR . 34.3 m-20 -63.6 -40.02 95.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.002 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -65.18 -40.39 94.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.475 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -66.39 -43.78 84.89 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.05 -47.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.9 -49.68 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.6 -44.1 76.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.693 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.44 -41.71 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.513 0.673 . . . . 0.0 109.878 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 105' ' ' LEU . 10.3 mm -67.1 -46.84 83.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.456 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -67.63 -37.06 81.94 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.02 -33.26 75.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -89.97 -9.0 50.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.36 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.6 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 29.6 t0 -98.41 106.13 18.37 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 122.118 0.961 . . . . 0.0 110.029 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -36.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.368 -176.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 133' ' ' ASP . 43.7 m-20 -91.97 2.26 56.66 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 56.67 -2.12 0.09 OUTLIER Glycine 0 CA--C 1.535 1.338 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.527 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 131' ' ' ASP . 40.8 p-10 -43.87 -19.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.703 0.252 . . . . 0.0 111.655 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.6 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 92.14 -0.72 72.61 Favored Glycine 0 N--CA 1.465 0.617 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.1 mm-40 -136.95 154.83 50.34 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 56.7 mt -113.7 118.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.67 170.62 14.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 56.4 t80 -59.22 -49.7 76.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.199 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 12.6 pt-20 -50.21 -48.01 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 109.961 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 144' ' ' VAL . 38.0 tt0 -67.76 -38.17 83.1 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.452 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 14.0 t80 -60.66 -42.06 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 48.2 t -60.37 -44.66 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.686 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.47 -44.22 95.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.715 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 140' ' ' GLU . 59.5 t -69.17 -44.23 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.021 0.439 . . . . 0.0 110.979 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.452 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 30.4 mmt -66.7 -40.67 88.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.284 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.5 ttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.711 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 CA--C 1.522 -0.097 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.74 -39.53 81.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.63 -40.07 86.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.087 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -65.09 -46.99 78.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.415 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 57.8 tp -57.46 -46.15 83.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.229 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HZ2' ' HB2' ' A' ' 86' ' ' LYS . 9.4 mtmp? -63.26 -31.11 72.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.682 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.49 -42.67 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.235 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 100' ' ' ILE . 73.7 t80 -61.36 -44.95 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.035 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HG3' ' OE1' ' A' ' 96' ' ' GLN . 64.9 ttp85 -59.52 -33.05 70.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.242 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.59 -45.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.237 0.541 . . . . 0.0 109.541 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.23 -41.49 99.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.613 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.55 86.66 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.076 0.465 . . . . 0.0 112.069 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.65 -46.03 91.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.669 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -62.6 -45.2 93.97 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.22 50.23 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.885 0.741 . . . . 0.0 110.901 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -105.66 7.37 32.63 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.65 63.76 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -124.66 158.48 33.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 110.522 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' A' ' 89' ' ' PHE . 79.6 mt -118.36 127.24 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -99.78 153.23 19.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.15 -42.86 73.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.07 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.9 mt-10 -63.84 -41.41 97.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.88 -38.91 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.281 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' ALA . 56.3 ttp180 -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -65.83 -41.88 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.3 t -62.86 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.067 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 7.2 mmt -63.88 -36.65 84.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.0 m -63.58 -43.92 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.083 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -60.72 -35.41 76.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.824 0.821 . . . . 0.0 109.123 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.43 91.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.118 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.81 16.14 20.35 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.493 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 96.6 mt-10 -98.09 135.42 39.79 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -116.66 90.38 3.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.502 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.1 mp -94.45 153.95 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.893 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 p -82.55 169.06 16.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.745 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.26 -40.31 95.8 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.82 -40.09 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.837 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -65.55 -44.81 85.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 119.763 -0.775 . . . . 0.0 108.938 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.17 -48.38 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.089 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.84 -49.97 68.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.274 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -54.88 -44.26 73.93 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.8 -42.05 95.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.573 0.701 . . . . 0.0 110.281 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.1 mm -66.42 -45.72 88.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.003 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -67.57 -35.86 79.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.239 0.543 . . . . 0.0 109.806 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -69.07 -39.87 78.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -76.74 -20.22 56.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.528 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.35 125.25 41.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.4 m -128.84 -19.22 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.067 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.2 p-10 -77.22 -11.89 59.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 71.44 72.6 0.9 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.221 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.0 p-10 -143.15 -26.28 0.59 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.544 0.211 . . . . 0.0 111.024 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.1 6.29 86.65 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -124.36 140.78 52.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.453 ' N ' HD12 ' A' ' 136' ' ' ILE . 1.8 mp -98.41 112.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.37 164.14 22.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.6 t80 -53.92 -46.34 71.46 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.908 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.5 pt-20 -56.77 -42.62 79.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.853 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 32.1 tt0 -69.02 -38.32 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 75.0 t80 -59.2 -40.05 84.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.4 t -65.54 -41.52 91.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.058 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.37 -48.36 81.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.535 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 145' ' ' MET . 35.3 m -72.31 -40.47 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 111.665 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.487 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.7 ttm -70.35 -45.85 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.3 ttm . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.577 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.32 -39.26 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 87' ' ' GLU . 83.3 tt0 -62.88 -39.32 94.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 109.955 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -64.95 -40.38 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.134 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.05 97.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.209 0.528 . . . . 0.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.75 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.448 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.05 -45.28 86.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.01 96.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.892 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.2 t80 -62.26 -45.06 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.442 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.49 ' NH2' ' OE1' ' A' ' 96' ' ' GLN . 13.3 mmm180 -61.95 -34.71 76.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.069 0.461 . . . . 0.0 110.382 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.1 t -67.53 -42.23 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.483 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.745 ' HA ' HG21 ' A' ' 108' ' ' VAL . 4.5 m-30 -61.15 -40.55 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.369 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -83.12 92.3 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.49 -47.71 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.473 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.02 -36.2 81.58 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.003 0.43 . . . . 0.0 112.121 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.49 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.67 43.77 0.23 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.591 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.76 6.0 49.53 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.712 -0.618 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 -4.85 79.8 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -127.06 159.11 35.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 89' ' ' PHE . 89.4 mt -115.12 127.08 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.22 151.42 23.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.181 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.09 52.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.57 78.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.536 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.0 mt-10 -67.23 -45.01 78.06 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.909 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 110' ' ' THR . 68.8 ttt180 -63.53 -43.06 98.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.826 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -64.24 -45.97 85.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.745 HG21 ' HA ' ' A' ' 92' ' ' PHE . 62.1 t -66.42 -40.62 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.31 -38.95 92.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.717 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.2 m -62.95 -41.11 99.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.953 0.406 . . . . 0.0 110.124 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.03 -31.38 71.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.673 0.749 . . . . 0.0 109.352 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -39.94 84.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.08 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.93 22.26 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 107.621 -2.192 . . . . 0.0 107.621 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.17 133.77 47.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.953 -1.123 . . . . 0.0 108.246 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -111.99 92.62 4.1 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 110.908 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 116' ' ' LEU . 5.7 mp -89.74 147.24 23.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.945 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 118' ' ' ASP . 65.6 m -77.03 168.04 20.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 117' ' ' THR . 33.2 t70 -62.51 -40.03 95.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.94 -37.37 84.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.28 -45.23 77.21 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.27 -49.51 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.251 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.85 -49.02 76.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 110.885 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.64 -41.45 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.772 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -65.14 -42.88 93.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.485 0.659 . . . . 0.0 110.101 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -66.2 -44.69 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.459 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 129' ' ' ASP . 2.6 mpt_? -68.56 -34.47 75.89 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -71.02 -41.8 70.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.49 -20.67 50.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 126' ' ' ARG . 46.1 t0 -100.48 125.17 46.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -11.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.59 -12.07 56.54 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.8 -1.66 21.63 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.984 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.538 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 56.1 m-20 -42.29 -26.62 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.762 -0.258 . . . . 0.0 111.087 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.32 69.7 Favored Glycine 0 N--CA 1.466 0.687 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -140.64 159.79 41.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -104.21 115.06 45.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.93 167.73 18.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 65.9 t80 -56.19 -48.47 76.3 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.674 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -54.28 -45.21 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.515 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 -36.77 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.471 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 61.5 t80 -60.35 -42.69 96.24 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 54.6 t -63.68 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.803 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.4 -48.76 79.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.78 -39.55 59.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.471 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 9.7 mmt -70.28 -45.9 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.0 ttm . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.5 m . . . . . 0 CA--C 1.522 -0.098 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -57.07 -40.05 76.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.26 -37.25 86.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 109.884 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -65.73 -41.23 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.27 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.03 -44.15 97.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 0.0 109.832 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 64.9 mttm -63.83 -31.58 72.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.668 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 91' ' ' VAL . 80.1 tt0 -64.9 -44.31 89.99 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.31 98.22 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.485 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.73 -46.51 87.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.295 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.747 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -67.3 -44.36 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.262 0.553 . . . . 0.0 109.76 178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -63.72 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.341 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 27.4 t0 -98.57 80.51 2.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.886 0.374 . . . . 0.0 111.978 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 107' ' ' HIS . 60.5 pttt -60.11 -38.57 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 35.5 t0 -55.55 -23.45 26.76 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.366 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 95' ' ' ASP . 0.6 OUTLIER 61.52 31.49 18.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -98.96 -4.3 33.03 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.3 28.59 24.66 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 69.2 m-85 -152.46 132.96 13.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -91.43 123.1 43.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 p -108.19 158.05 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.2 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -57.16 -42.25 80.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.76 -51.01 71.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.88 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 108' ' ' VAL . 77.2 mt-10 -65.64 -42.26 91.67 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.497 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -65.1 -37.0 86.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.188 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.6 ttp180 -63.81 -43.09 97.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.021 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 52.7 m80 -65.59 -41.49 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.2 t -67.7 -40.63 84.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.416 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.1 mmt -66.88 -31.49 72.12 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.6 p -74.88 -38.51 61.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.385 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -65.21 -38.5 90.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 122.018 0.913 . . . . 0.0 108.882 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.51 -38.25 86.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.936 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.7 19.16 9.95 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -99.96 132.8 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 113.944 -1.128 . . . . 0.0 108.082 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' C ' HD12 ' A' ' 116' ' ' LEU . 59.8 mttp -117.92 91.78 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.045 0.45 . . . . 0.0 110.95 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.9 mp -99.29 150.54 22.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.91 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -82.7 172.98 12.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.707 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.82 -37.42 86.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.809 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -68.66 -39.8 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.097 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.89 -44.36 85.49 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.81 -49.29 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.142 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.21 -48.71 72.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.07 -44.81 79.29 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.9 ttp -63.94 -42.48 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.531 0.682 . . . . 0.0 110.223 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mm -68.15 -43.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.605 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.73 -34.85 79.14 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.796 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -70.6 -40.65 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.738 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -14.57 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.71 116.93 30.88 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.353 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.01 -22.1 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.859 0.361 . . . . 0.0 110.3 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -94.73 -1.79 52.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.28 10.21 15.03 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -44.04 -20.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 86.77 -0.95 86.85 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.427 ' C ' HD12 ' A' ' 136' ' ' ILE . 85.6 mt-30 -141.0 157.81 44.81 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -103.24 110.74 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 44.5 t30 -81.35 163.06 23.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 142' ' ' VAL . 56.1 t80 -52.36 -46.53 66.17 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.85 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.5 -43.88 84.56 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.305 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.44 -38.53 87.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.995 0.426 . . . . 0.0 109.908 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 44.7 t80 -62.18 -37.84 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.812 0.815 . . . . 0.0 109.253 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.6 t -66.59 -42.06 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.741 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.39 -47.9 82.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.742 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 145' ' ' MET . 7.1 p -73.28 -45.27 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.521 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.557 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.3 ttm -64.04 -46.34 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.29 -41.04 83.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.256 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -62.38 -40.43 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 109.884 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.93 -44.21 90.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 142' ' ' VAL . 44.5 tp -57.29 -44.41 84.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.96 -31.31 72.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.526 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.3 mt-10 -66.62 -42.42 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.499 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.0 t80 -60.68 -47.85 84.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.482 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -61.36 -33.33 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.146 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.5 t -68.55 -44.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.977 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.54 -40.76 97.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.127 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 67.1 t0 -90.66 89.41 7.51 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 0.5 OUTLIER -56.65 -41.94 78.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.909 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 22.0 m-20 -66.38 -23.91 66.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.767 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 45.53 49.21 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.078 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -99.61 1.58 43.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.682 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.1 15.28 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 89.2 m-85 -151.05 150.98 31.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.657 0.265 . . . . 0.0 110.645 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 141' ' ' PHE . 88.2 mt -115.36 129.66 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 t -116.23 154.91 29.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.064 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.27 -40.56 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -55.52 20.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.66 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.5 mt-10 -62.8 -42.1 99.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.863 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' A' ' 109' ' ' MET . 3.9 tp -62.37 -40.56 96.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.656 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' ALA . 77.6 ttt-85 -65.99 -43.65 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.068 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -67.12 -45.1 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.9 t -64.41 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.18 -35.15 80.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.889 178.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.7 m -63.21 -45.12 93.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.818 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.03 -37.52 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -41.79 97.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.176 -1.375 . . . . 0.0 110.139 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.78 57.21 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -111.0 76.15 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 113.691 -1.254 . . . . 0.0 108.48 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -104.46 139.94 38.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.068 0.461 . . . . 0.0 110.744 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -111.44 -174.71 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.673 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.1 p -74.17 168.46 19.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.573 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.53 -40.44 96.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.733 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -67.43 -36.15 80.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -68.96 -46.01 69.24 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.19 -49.43 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.964 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.33 -49.38 67.19 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.844 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -56.24 -42.13 76.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.4 ttp -64.54 -41.61 96.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.368 0.604 . . . . 0.0 110.195 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 10.5 mm -67.38 -45.88 84.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 129' ' ' ASP . 96.5 mtt180 -67.19 -33.71 75.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.27 0.557 . . . . 0.0 110.043 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.84 -34.09 73.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.273 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.53 40.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.324 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 66.5 t0 -101.59 123.82 46.23 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.65 -8.92 6.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 133' ' ' ASP . 61.1 m-20 -90.91 -2.51 57.72 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.05 -2.1 0.28 Allowed Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.764 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.6 p-10 -45.93 -24.88 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 111.168 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 93.56 2.12 65.61 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -136.12 152.65 51.06 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.3 mp -109.79 119.41 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -80.17 168.21 19.39 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.048 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 141' ' ' PHE . 71.9 t80 -52.46 -65.77 0.5 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.977 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.4 pt-20 -42.51 -45.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.046 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 74.6 tt0 -67.52 -36.83 81.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 138' ' ' TYR . 39.6 t80 -62.52 -37.04 84.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 85' ' ' LEU . 67.5 t -66.38 -41.01 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.923 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -48.73 80.48 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 145' ' ' MET . 34.4 m -73.47 -39.6 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.451 ' N ' HG23 ' A' ' 144' ' ' VAL . 49.4 tpp -69.78 -44.82 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.505 . . . . 0.0 110.681 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.058 0.456 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.27 -40.06 80.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.573 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.162 0.506 . . . . 0.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 5.9 mt-10 -65.53 -41.27 93.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.98 -43.3 95.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.899 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -63.75 -32.36 73.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.2 mt-10 -65.52 -43.05 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.3 91.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.538 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.72 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.588 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 87' ' ' GLU . 38.2 t -66.18 -46.27 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.748 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -60.09 -41.8 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.177 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 43.9 t0 -81.29 92.22 6.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.576 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.01 -46.9 81.97 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.82 -39.52 83.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.669 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 44.9 tt0 70.05 51.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.62 3.42 21.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.091 0.472 . . . . 0.0 110.118 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 93.62 29.71 9.75 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 81.6 m-85 -156.13 154.9 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.49 129.82 74.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -111.49 154.05 25.29 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.044 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.98 -41.19 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.57 67.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.488 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 47.6 mt-10 -62.5 -44.18 97.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.498 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.2 tp -63.65 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 80.3 ttt180 -65.0 -42.72 94.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.984 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -66.83 -43.75 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.21 -43.46 95.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.52 -33.9 77.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.096 0.474 . . . . 0.0 109.822 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.8 m -65.36 -45.62 83.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.901 0.858 . . . . 0.0 108.878 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -41.96 79.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.417 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.03 11.32 Favored Glycine 0 N--CA 1.459 0.183 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -99.91 137.78 37.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -117.37 88.61 2.94 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.165 0.507 . . . . 0.0 111.098 -178.748 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.0 mp -87.28 165.93 15.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.89 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.3 t -103.23 170.42 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.613 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 36.2 p-10 -60.61 -40.08 90.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 41.8 tt0 -64.03 -43.61 95.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.417 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 117' ' ' THR . 61.7 mm-40 -65.78 -46.91 76.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.49 -48.53 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.73 -49.94 64.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -55.28 -45.37 76.2 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.759 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -64.14 -43.29 95.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.401 0.62 . . . . 0.0 110.225 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -67.73 -45.63 84.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.219 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.44 -35.23 79.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 110.205 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -69.93 -38.73 76.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.517 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.534 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -80.8 -13.06 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.99 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.54 127.99 54.87 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.479 0.657 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.61 -12.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 C-N-CA 124.348 1.059 . . . . 0.0 109.568 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -94.5 -10.46 32.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.9 11.77 61.25 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 113.745 -1.571 . . . . 0.0 111.739 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 40.2 p-10 -54.59 -33.74 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 101.22 0.98 54.22 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 2.9 mp0 -143.08 160.81 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 8.7 mm -99.42 117.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 1.1 m-20 -78.18 163.68 25.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 142' ' ' VAL . 59.3 t80 -54.09 -50.7 66.22 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.228 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.3 pt-20 -57.64 -44.02 85.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.867 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 33.0 tt0 -64.47 -35.28 80.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.579 . . . . 0.0 109.773 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 15.2 t80 -63.92 -40.86 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.406 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.1 t -60.88 -43.72 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.89 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.35 -46.18 91.32 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.338 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.534 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.8 t -69.48 -44.2 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 31.1 mmt -65.43 -42.66 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.581 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.8 mmm . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.565 -179.816 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.21 -42.66 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 56.0 mp0 -63.39 -38.91 92.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -64.93 -40.54 95.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.323 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.45 -43.82 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.188 0.518 . . . . 0.0 110.039 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.8 mttm -63.68 -32.11 73.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.6 mm-40 -65.18 -43.47 91.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.59 97.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.382 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.43 -45.55 93.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.382 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 65.7 ttp85 -61.81 -33.63 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.48 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 87' ' ' GLU . 53.0 t -66.85 -45.6 87.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.337 0.589 . . . . 0.0 109.861 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.7 -40.31 96.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.362 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.526 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 44.1 t0 -83.23 88.89 6.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -177.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -62.41 -47.79 82.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 50.5 m-20 -62.88 -19.01 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.313 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 42.0 mm-40 53.1 42.03 32.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -103.19 6.76 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.136 0.88 . . . . 0.0 110.109 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.78 27.2 32.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 78.3 m-85 -150.97 151.21 31.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.535 -0.332 . . . . 0.0 110.347 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -113.73 127.65 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.7 t -112.26 156.6 22.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.986 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.14 67.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.08 40.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.632 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.5 mt-10 -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.633 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.513 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.3 tp -61.43 -41.07 96.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.739 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -66.25 -42.49 88.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.09 -46.03 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.448 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.0 t -64.37 -42.98 96.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.188 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -64.32 -34.79 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.578 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.3 m -65.7 -43.23 89.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 110.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.85 -37.07 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.854 0.835 . . . . 0.0 108.911 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -42.48 81.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.083 -1.417 . . . . 0.0 110.308 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.81 20.82 9.58 Favored Glycine 0 N--CA 1.46 0.256 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.82 140.04 37.61 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.2 89.74 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.5 mp -92.62 152.33 19.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.964 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.0 t -88.64 171.55 9.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.94 -40.41 97.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.083 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.03 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.427 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.643 ' H ' HG23 ' A' ' 117' ' ' THR . 60.0 mm-40 -66.51 -44.89 81.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.6 -50.25 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.209 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.46 -48.67 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -54.79 -43.92 73.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.966 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.85 -43.13 89.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.464 0.649 . . . . 0.0 110.52 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.448 HD11 HD22 ' A' ' 105' ' ' LEU . 21.1 mm -66.44 -44.59 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.606 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -68.95 -34.17 74.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.187 0.518 . . . . 0.0 110.113 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -70.29 -39.68 74.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.21 -11.98 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 31.6 m-20 -97.63 115.4 27.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.867 0.365 . . . . 0.0 111.071 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 130' ' ' VAL . 40.0 t -105.58 -26.01 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.922 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.282 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.0 m-20 -90.14 -3.68 57.75 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 61.92 -5.89 0.31 Allowed Glycine 0 CA--C 1.533 1.177 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 131' ' ' ASP . 47.5 p-10 -43.2 -23.82 0.06 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.837 0.351 . . . . 0.0 110.685 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 132' ' ' GLY . . . 92.34 3.15 67.43 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.39 155.2 49.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.1 mp -108.61 115.9 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 20.9 t-20 -81.06 167.94 19.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.504 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 68.2 t80 -54.37 -61.9 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.252 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -40.3 -46.09 2.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.171 0.51 . . . . 0.0 111.174 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.8 tt0 -69.18 -39.33 78.76 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.934 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 138' ' ' TYR . 23.9 t80 -59.87 -26.12 65.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.139 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.2 -39.77 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.392 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.53 -46.67 88.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.058 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -74.93 -43.75 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.712 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 23.9 mmt -61.29 -45.29 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.463 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.85 179.58 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.96 0.41 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.86 -40.97 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.282 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.05 -39.06 93.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 109.833 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.63 -40.67 95.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.523 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.089 0.471 . . . . 0.0 110.085 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -63.27 -33.05 74.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.0 mm-40 -65.15 -42.37 93.84 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.59 97.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.348 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.62 -45.7 91.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -63.27 -34.36 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.2 t -66.51 -45.65 88.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.697 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -62.65 -40.97 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.286 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 46.2 t0 -86.85 83.83 7.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.034 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.631 ' NZ ' ' CG ' ' A' ' 107' ' ' HIS . 97.4 mttt -61.13 -42.68 98.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.645 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.51 -19.51 64.83 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.316 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 52.82 39.52 29.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.133 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -101.65 6.88 42.18 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.64 28.84 28.37 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 91.5 m-85 -151.52 151.91 32.24 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.39 127.28 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.0 p -108.03 153.95 22.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.583 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -53.21 -40.17 64.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.65 -51.07 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.708 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.0 mt-10 -65.95 -43.11 88.94 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.706 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.9 tp -63.25 -40.89 98.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.298 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 60.7 ttp180 -62.64 -43.44 98.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.631 ' CG ' ' NZ ' ' A' ' 94' ' ' LYS . 2.5 t-80 -67.52 -42.96 81.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.113 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.4 t -62.65 -44.12 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.074 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -69.41 -43.86 72.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.392 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.19 -40.0 94.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.939 0.876 . . . . 0.0 109.25 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 -39.34 91.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.99 13.79 9.82 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 109' ' ' MET . 73.9 mm-40 -103.49 126.63 50.76 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 113.973 -1.114 . . . . 0.0 108.18 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.1 ttpt -119.63 101.3 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.973 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.0 mp -96.99 151.26 19.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.059 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.622 HG22 ' N ' ' A' ' 118' ' ' ASP . 77.2 m -76.41 168.03 20.79 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.767 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.622 ' N ' HG22 ' A' ' 117' ' ' THR . 66.9 t0 -63.39 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.86 -40.21 87.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.974 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -66.37 -44.04 84.25 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.583 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 44.0 t -61.01 -49.38 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.267 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -63.29 -47.28 82.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.26 -41.41 79.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.79 0.329 . . . . 0.0 110.726 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.9 ttp -63.49 -41.63 98.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.639 . . . . 0.0 110.114 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.27 -46.81 83.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.478 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.123 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -70.8 -42.55 70.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.613 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -74.22 -21.25 59.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.4 t0 -91.91 118.96 31.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.453 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -121.72 -22.89 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.922 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.7 p30 -83.87 -11.01 57.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 68.38 74.83 0.56 Allowed Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.417 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 30.7 p-10 -128.7 -27.62 2.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.626 0.251 . . . . 0.0 111.229 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.8 4.01 73.18 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.48 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 57.5 mt-30 -135.91 152.73 51.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.1 mm -104.21 112.87 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.1 OUTLIER -80.54 168.03 19.4 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 142' ' ' VAL . 47.9 t80 -56.11 -49.38 74.04 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.871 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.44 -48.19 77.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 37.3 tt0 -64.25 -36.82 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 36.8 t80 -63.14 -44.3 95.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.02 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 138' ' ' TYR . 43.1 t -58.36 -45.41 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.566 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -43.8 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.866 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.629 HG21 ' HB1' ' A' ' 128' ' ' ALA . 74.2 t -68.72 -43.86 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -76.78 -39.57 51.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -178.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 45.9 ttp . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.05 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.234 0.54 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -54.61 -47.6 73.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.169 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -59.83 -38.58 82.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.175 0.512 . . . . 0.0 109.738 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 16.8 tp10 -65.61 -44.46 86.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.717 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 HG22 ' A' ' 142' ' ' VAL . 42.7 tp -58.05 -45.22 87.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.705 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.75 -33.46 75.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.755 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 65.5 mm-40 -61.71 -45.33 94.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.212 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.81 -45.1 93.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.529 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 74.4 mtm180 -62.9 -32.91 74.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.644 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 48.6 t -64.87 -44.87 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.28 0.562 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.598 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -84.19 88.45 7.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.29 -46.94 85.15 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 48.2 m-20 -66.8 -40.09 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 73.76 49.39 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.78 0.675 . . . . 0.0 111.889 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -109.58 5.64 23.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.127 0.489 . . . . 0.0 109.959 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.432 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.93 24.55 32.01 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 71.6 m-85 -148.52 147.98 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.162 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.62 124.72 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -104.95 154.91 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.281 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.53 -40.64 65.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.64 -50.46 68.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.512 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.1 mt-10 -66.32 -43.04 87.29 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.66 -40.89 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.01 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.78 -43.18 94.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.88 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -65.85 -42.58 90.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.12 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 104' ' ' GLU . 86.5 t -64.69 -42.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.227 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.06 -34.34 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.93 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.5 m -67.93 -42.89 80.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.2 -38.15 76.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.919 0.866 . . . . 0.0 108.799 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -54.42 39.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.58 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.74 21.08 5.85 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 108.469 -1.853 . . . . 0.0 108.469 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.98 87.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.876 -1.162 . . . . 0.0 108.102 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.71 156.17 17.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.19 171.47 7.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.755 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.4 p -78.59 172.32 13.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.8 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.865 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.077 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.83 -44.27 86.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.011 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.1 -49.97 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.957 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -63.45 -48.59 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -55.25 -44.18 75.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.913 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -65.79 -42.98 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.47 0.652 . . . . 0.0 110.36 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 20.1 mm -66.99 -44.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 1.4 mmp_? -69.88 -34.42 73.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.552 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -72.11 -41.05 67.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.567 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -77.19 -19.23 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 19.6 m-20 -90.92 118.85 30.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.954 0.407 . . . . 0.0 111.951 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.45 -17.7 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 121.224 0.535 . . . . 0.0 110.663 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 17.1 m-20 -93.69 -5.08 49.37 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.72 0.0 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.195 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.2 p-10 -41.09 -21.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.827 0.346 . . . . 0.0 110.64 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 90.9 1.58 73.05 Favored Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -140.57 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.13 114.44 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 15.2 t-20 -82.68 164.71 20.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 142' ' ' VAL . 68.9 t80 -54.17 -46.43 72.33 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.073 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 13.6 pt-20 -54.96 -43.71 73.71 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.819 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 30.2 tt0 -69.38 -41.14 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.137 0.494 . . . . 0.0 109.979 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.93 -35.88 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.035 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 138' ' ' TYR . 97.0 t -69.92 -41.81 79.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.622 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -48.06 77.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.857 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -70.41 -41.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 144' ' ' VAL . 42.7 tpp -69.86 -41.21 75.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.6 ttt . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.707 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.77 -37.33 76.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.75 -38.97 92.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.981 0.42 . . . . 0.0 109.889 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.58 -47.46 75.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.939 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.56 -44.81 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -64.32 -31.07 72.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.608 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.2 -45.01 90.18 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.33 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.223 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -60.29 -45.25 93.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.232 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -61.87 -33.66 74.6 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.82 -43.93 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.705 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' HG21 ' A' ' 108' ' ' VAL . 38.1 m-85 -64.08 -39.64 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.413 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -86.11 85.98 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.174 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.444 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 13.3 m-20 -63.45 -33.7 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.178 0.513 . . . . 0.0 109.953 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.57 42.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.385 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.24 6.59 48.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.813 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.43 85.37 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -131.73 134.85 46.33 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -84.84 130.85 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -107.38 153.99 21.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.373 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.52 68.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.74 79.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.543 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 67.2 mt-10 -63.49 -41.52 98.55 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.743 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.22 -38.94 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.585 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -63.73 -45.35 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -65.88 -43.04 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.118 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 93.9 t -63.74 -42.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.49 -31.36 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.869 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.3 m -67.22 -43.72 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.114 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.64 -34.58 77.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.669 0.747 . . . . 0.0 109.258 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -42.49 90.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.34 -1.3 . . . . 0.0 110.259 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.23 26.15 8.46 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -101.18 143.96 30.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.036 . . . . 0.0 108.404 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.74 81.42 1.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -87.98 166.26 14.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -107.59 172.04 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.755 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.32 -38.6 90.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.089 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.43 -42.23 92.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.171 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 117' ' ' THR . 53.5 mm-40 -66.86 -45.91 76.68 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.13 -49.0 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.974 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.42 -47.93 77.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.31 -43.46 83.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.662 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -65.86 -44.0 86.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.42 0.628 . . . . 0.0 110.24 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 125' ' ' ILE . 16.8 mm -67.55 -44.47 86.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' ASP . 60.4 ttt85 -67.04 -35.44 79.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.559 . . . . 0.0 109.996 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -71.97 -46.56 56.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.506 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -73.95 -23.25 59.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 126' ' ' ARG . 52.2 t0 -96.83 124.29 40.76 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.88 -11.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -84.46 -7.95 59.12 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.01 -0.9 3.01 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-N 112.884 -1.962 . . . . 0.0 112.501 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.602 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 43.0 p-10 -43.48 -25.6 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.565 0.221 . . . . 0.0 110.967 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.3 0.36 63.23 Favored Glycine 0 N--CA 1.467 0.74 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 11.8 mp0 -140.35 156.23 46.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 116.0 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -79.63 158.91 26.94 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 142' ' ' VAL . 58.6 t80 -51.6 -46.78 63.66 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.805 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.25 -43.16 87.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.661 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.33 -38.46 90.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.62 -44.17 97.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 138' ' ' TYR . 77.5 t -58.19 -43.11 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.351 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.29 -46.68 89.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.272 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.408 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.6 t -69.23 -46.59 77.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.693 0.282 . . . . 0.0 111.484 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 mmt -68.71 -45.02 72.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 44.7 ttm . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.299 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.927 0.394 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 8.7 tm-20 -56.88 -42.07 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.85 -38.02 89.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 109.883 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -65.22 -38.53 90.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.04 -44.11 97.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.014 0.435 . . . . 0.0 109.955 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.32 -32.65 74.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.568 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.4 mt-10 -63.82 -44.35 93.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.366 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.64 -46.83 86.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.42 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 88.6 mtm180 -64.85 -33.07 75.13 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.374 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.9 t -67.65 -45.09 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.923 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -60.5 -38.94 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.253 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 96' ' ' GLN . 49.3 t0 -84.27 95.16 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -48.18 82.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 14.3 m-20 -65.68 -42.9 90.73 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.368 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.506 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 7.3 tt0 74.88 51.2 0.08 Allowed 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.891 0.745 . . . . 0.0 112.344 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -109.06 9.91 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.53 26.22 30.75 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.459 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 88.6 m-85 -151.06 151.55 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.94 126.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -107.29 156.15 19.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.168 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.54 69.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.56 67.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.423 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 68.7 mt-10 -64.3 -42.13 96.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.713 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.81 -40.07 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -62.42 -43.46 98.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.999 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.93 -45.28 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.2 t -65.63 -42.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.122 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.78 -34.75 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.6 m -67.8 -40.09 83.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.295 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.3 -35.04 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.934 0.873 . . . . 0.0 109.181 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -34.32 65.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.576 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.53 16.73 33.31 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -110.67 138.24 47.32 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.414 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.6 mtmm -116.56 100.27 7.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.5 mp -98.53 147.54 24.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.828 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 120' ' ' GLU . 12.8 t -81.96 175.6 10.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.724 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.91 -41.54 91.29 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.411 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.594 ' H ' HG23 ' A' ' 117' ' ' THR . 58.1 mm-40 -66.48 -45.93 78.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.17 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.133 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.9 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.017 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -55.46 -42.91 74.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.9 ttt -65.17 -42.38 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.467 0.651 . . . . 0.0 110.113 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 5.3 mm -66.48 -44.23 90.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.562 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 126' ' ' ARG . 60.7 ttm-85 -69.71 -35.46 75.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.153 0.501 . . . . 0.0 110.092 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -69.18 -39.04 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.417 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.61 -13.16 59.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.345 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 29.7 m-20 -100.89 119.91 39.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.6 p -105.96 -18.59 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.035 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -101.3 1.01 38.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.21 9.07 1.87 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.689 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 50.3 p-10 -48.11 -23.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.729 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 90.0 -0.47 79.09 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -131.64 147.57 52.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -100.4 118.38 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.641 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.6 OUTLIER -82.8 158.61 22.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.402 ' OH ' ' OE2' ' A' ' 82' ' ' GLU . 51.3 t80 -51.51 -52.15 49.19 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.093 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.641 ' CG ' HD22 ' A' ' 137' ' ' ASN . 15.5 pt-20 -53.86 -42.69 68.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.917 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 36.6 tt0 -64.41 -39.55 94.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.124 0.488 . . . . 0.0 109.835 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.85 -42.28 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.186 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 146' ' ' MET . 55.0 t -59.8 -42.91 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.173 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.71 -45.87 92.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 81.7 t -68.86 -43.5 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.784 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.215 0.531 . . . . 0.0 111.163 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 10.5 tpp . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.549 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.884 0.373 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.37 -48.69 71.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -60.72 -39.41 88.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 0.0 109.989 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.79 -47.38 75.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.027 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.07 -45.65 64.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -64.04 -33.27 75.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.5 mm-40 -65.04 -42.78 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.235 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 100' ' ' ILE . 77.4 t80 -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.487 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -60.99 -33.87 73.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.128 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.5 t -64.61 -46.0 93.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.55 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -62.05 -41.47 98.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.757 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -87.21 84.27 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.752 ' HZ2' ' CE1' ' A' ' 107' ' ' HIS . 56.5 mtpt -58.74 -44.45 90.51 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.18 -40.27 90.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.646 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 71.43 49.53 0.3 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.702 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -103.03 4.75 37.62 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.151 0.5 . . . . 0.0 109.914 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.8 68.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.495 ' CZ ' ' ND2' ' A' ' 137' ' ' ASN . 18.4 m-85 -127.43 128.92 46.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 89' ' ' PHE . 72.1 mt -82.35 130.56 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 m -97.55 149.27 22.38 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.244 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.13 71.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.31 -48.03 83.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.579 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 108' ' ' VAL . 85.1 mt-10 -67.24 -40.46 86.32 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.721 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.77 -37.45 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.853 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -65.05 -43.77 91.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.808 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.752 ' CE1' ' HZ2' ' A' ' 94' ' ' LYS . 36.2 t-80 -66.72 -42.12 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.5 t -62.62 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.261 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.23 -28.89 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.035 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.9 m -72.05 -42.4 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.426 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -65.37 -39.52 92.41 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.896 0.855 . . . . 0.0 109.188 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -46.91 -22.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.63 -1.623 . . . . 0.0 110.845 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.19 17.38 55.85 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -109.24 141.88 40.89 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 91.77 3.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.136 0.494 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.0 mp -92.45 150.52 20.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.357 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -86.32 169.78 12.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.667 178.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -62.84 -37.6 87.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.003 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.9 -43.93 91.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.509 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 117' ' ' THR . 63.8 mm-40 -65.61 -45.35 83.47 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.42 -49.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.218 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.37 -46.48 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -57.31 -43.04 82.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.79 0.328 . . . . 0.0 110.902 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.4 ttt -64.81 -42.46 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.035 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.9 mm -68.19 -44.16 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.416 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -68.84 -35.38 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.299 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -72.53 -46.46 54.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.273 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 44.8 m-20 -95.86 124.69 39.98 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.129 0.49 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 m -133.78 -20.14 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.596 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.78 -15.97 58.71 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 72.48 1.07 Allowed Glycine 0 CA--C 1.531 1.033 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.562 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 58.5 m-20 -128.27 -31.35 2.32 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.718 0.294 . . . . 0.0 111.204 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.5 2.03 65.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 7.1 mp0 -142.27 157.91 44.3 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -97.95 111.73 28.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 99' ' ' PHE . 24.7 t-20 -78.38 161.33 27.24 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.9 t80 -53.0 -47.34 68.34 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.881 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.7 pt-20 -57.05 -42.47 80.59 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.74 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.447 ' O ' HG12 ' A' ' 144' ' ' VAL . 33.4 tt0 -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 145' ' ' MET . 45.9 t80 -58.3 -42.38 86.52 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 122.328 1.061 . . . . 0.0 109.109 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 138' ' ' TYR . 93.8 t -61.94 -41.98 92.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.039 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -64.82 -49.18 71.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.285 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.666 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -74.6 -51.1 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.666 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -57.79 -46.18 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 110.493 -178.376 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.3 tpp . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 -179.868 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.248 0.547 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 14.5 tm-20 -61.72 -34.92 76.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.738 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.51 -40.48 96.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.397 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.79 -36.92 83.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.852 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.95 -44.68 94.25 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.753 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -65.19 -31.34 72.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.2 mt-10 -63.96 -44.99 91.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.68 90.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.135 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.11 -46.04 90.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.291 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -60.94 -33.87 73.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.5 t -67.44 -45.28 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.144 178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -63.44 -41.18 98.66 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.202 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -88.59 81.24 7.14 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.607 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -64.78 -45.96 84.13 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 34.9 m-20 -60.93 -20.85 62.78 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.048 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 61.86 28.79 17.62 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.649 0.593 . . . . 0.0 112.025 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -79.58 -3.58 47.64 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.02 -0.75 76.5 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.64 138.26 40.95 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -82.79 126.42 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 t -102.89 151.15 22.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.504 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.86 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.39 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.804 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.8 mt-10 -66.95 -42.5 85.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.79 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 125' ' ' ILE . 5.0 tp -62.13 -39.04 91.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.827 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt180 -67.93 -44.18 77.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.824 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.513 ' CD2' HD22 ' A' ' 111' ' ' ASN . 82.7 t60 -67.37 -44.89 77.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.1 t -62.87 -44.54 99.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.092 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.615 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.55 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 76.6 m -73.8 -43.03 60.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.23 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.513 HD22 ' CD2' ' A' ' 107' ' ' HIS . 72.6 m-20 -64.65 -40.28 95.17 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.986 0.898 . . . . 0.0 108.983 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.28 -20.29 1.02 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.865 -1.516 . . . . 0.0 111.068 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.36 18.63 48.58 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 108.284 -1.926 . . . . 0.0 108.284 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -114.34 141.83 47.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.759 -1.22 . . . . 0.0 108.182 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 116' ' ' LEU . 64.4 tttp -129.0 105.71 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.062 0.458 . . . . 0.0 111.089 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -104.91 155.78 18.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.908 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.3 p -80.39 171.03 15.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.798 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.03 -40.55 98.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.816 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.98 -43.51 87.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.171 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.09 -43.09 99.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.52 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.014 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.52 -48.98 75.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.88 -46.2 78.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.48 -42.39 98.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.441 0.639 . . . . 0.0 110.173 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.542 HD11 HD22 ' A' ' 105' ' ' LEU . 9.9 mm -68.05 -45.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.154 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -65.97 -36.37 83.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.24 0.543 . . . . 0.0 110.161 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -68.97 -33.96 74.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -85.44 -15.94 41.33 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.885 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 7.7 m-20 -96.97 120.52 37.46 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -14.35 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.185 -0.947 . . . . 0.0 109.528 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 133' ' ' ASP . 45.3 p-10 -101.67 -2.56 30.04 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 54.53 11.14 2.47 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.426 -1.369 . . . . 0.0 109.84 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' A' ' 131' ' ' ASP . 48.6 p-10 -43.58 -25.36 0.16 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.52 -0.63 59.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 2.0 pt20 -146.42 163.25 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 136' ' ' ILE . 1.5 mp -100.92 116.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 56.5 t-20 -78.61 160.1 27.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 53.2 t80 -53.12 -50.9 63.54 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.776 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.78 -42.58 68.43 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 39.1 tt0 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 37.8 t80 -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.84 -41.73 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.725 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.3 -49.52 75.3 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.008 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -72.81 -45.36 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.43 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.563 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.4 ttm -62.94 -49.02 76.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.981 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.632 -179.819 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.997 0.427 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -56.4 -43.42 79.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.147 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.13 -39.25 89.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.962 0.41 . . . . 0.0 109.992 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.99 -40.54 96.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.368 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 142' ' ' VAL . 58.4 tp -59.79 -45.23 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.56 -34.16 76.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.704 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.65 -44.32 96.55 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.056 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.39 -40.75 87.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -65.4 -34.44 78.31 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.15 -45.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 109.585 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -62.15 -40.69 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.706 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.32 87.36 6.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -57.69 -47.18 83.07 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 87.3 m-20 -66.86 -37.55 84.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.111 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 73.31 49.06 0.15 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.558 178.725 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -112.33 7.32 19.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.418 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.61 27.21 27.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.459 -1.057 . . . . 0.0 110.459 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 86.4 m-85 -150.68 149.45 29.84 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.24 128.87 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 p -107.73 153.97 22.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.079 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.54 70.86 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -54.44 -51.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.525 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 mt-10 -65.48 -41.31 93.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.812 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.27 -37.54 85.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.89 -43.25 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.896 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 55.5 m80 -66.31 -43.93 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.2 t -63.78 -43.29 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.5 mmt -67.93 -30.7 70.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.1 m -68.21 -44.2 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.02 -38.29 90.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.858 0.837 . . . . 0.0 109.151 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.85 -29.36 40.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.667 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.06 36.16 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 107.738 -2.145 . . . . 0.0 107.738 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -110.25 137.37 48.07 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD12 ' A' ' 116' ' ' LEU . 19.8 pttm -121.97 101.4 7.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.55 0.69 . . . . 0.0 111.495 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.716 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.1 mp -100.29 151.17 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.114 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.4 p -80.53 170.9 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.737 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.63 -38.33 90.69 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.02 -43.31 83.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.202 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.51 -43.75 96.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.2 -46.92 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.8 -49.43 68.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.346 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.09 -42.66 86.11 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.711 0.291 . . . . 0.0 110.821 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.1 ttp -64.64 -42.58 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.521 0.676 . . . . 0.0 110.019 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -69.2 -44.51 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.31 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.82 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.0 109.926 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -72.77 -39.37 66.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -76.76 -18.2 58.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.134 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -97.1 118.88 34.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 130' ' ' VAL 0.275 53.4 t -111.92 -25.59 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.659 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -90.7 -5.82 55.27 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -177.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.94 6.49 45.23 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.644 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.17 -30.19 16.07 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.437 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 2.43 68.02 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -137.74 154.05 49.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 11.9 mm -98.52 114.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.777 ' ND2' ' H ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.83 162.11 21.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG23 ' A' ' 142' ' ' VAL . 64.8 t80 -51.29 -46.9 62.63 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.913 -177.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.42 ' CG ' ' OD1' ' A' ' 137' ' ' ASN . 15.3 pt-20 -60.67 -44.88 95.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.75 -42.36 95.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.522 . . . . 0.0 109.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.2 -43.52 95.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.218 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.2 t -60.21 -43.07 92.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.168 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -59.71 -46.7 88.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.429 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.7 t -67.82 -43.47 86.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.854 0.359 . . . . 0.0 111.634 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.9 tpp -73.83 -42.76 60.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 11.9 ttt . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.285 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.93 0.395 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.48 -42.26 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.135 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.85 -44.18 90.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.94 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.85 -44.46 86.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.04 -33.05 74.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.8 mt-10 -65.28 -43.8 90.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.61 99.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.25 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.93 -44.81 94.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.229 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -62.74 -32.57 73.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.776 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.4 t -67.63 -44.38 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 109.932 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -64.14 -39.02 93.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.622 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -83.35 89.98 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.0 -47.54 79.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.065 0.46 . . . . 0.0 110.087 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 17.3 m-20 -68.36 -23.86 64.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.746 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 62.19 39.56 12.57 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.453 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.32 6.45 46.81 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.6 -1.313 . . . . 0.0 109.572 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.07 74.51 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.04 155.68 48.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.299 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -112.15 128.11 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -107.98 156.11 19.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.379 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -41.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.06 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.443 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.0 mt-10 -64.73 -42.86 94.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.559 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.86 -41.56 97.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.134 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -64.3 -43.34 95.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.206 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.24 -46.28 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -64.73 -41.35 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.053 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.5 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 8.3 mmt -65.14 -35.23 80.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.646 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.0 m -64.14 -42.34 96.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.35 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -61.58 -36.41 80.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.844 0.83 . . . . 0.0 109.131 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -41.52 83.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.26 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.81 15.9 17.16 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 94.5 mt-10 -97.52 134.77 40.31 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -119.59 91.67 3.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.95 0.405 . . . . 0.0 111.414 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -97.21 165.02 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.558 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -95.13 170.79 9.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.576 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 22.4 p-10 -64.28 -39.7 94.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.815 0.34 . . . . 0.0 110.205 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.83 -42.23 98.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.243 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.632 ' H ' HG23 ' A' ' 117' ' ' THR . 66.1 mm-40 -67.2 -43.37 82.28 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 116' ' ' LEU . 49.7 t -59.63 -48.95 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.277 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.88 -49.26 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.122 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -55.1 -42.26 72.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.833 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 18.7 ttt -66.73 -42.69 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.413 0.625 . . . . 0.0 110.44 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 15.3 mm -67.06 -44.62 88.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.66 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -70.04 -34.49 73.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.165 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.82 -39.8 72.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -78.76 -16.43 57.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.106 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 35.3 m-20 -98.01 122.46 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.39 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.83 -12.81 4.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -81.64 -14.18 57.0 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.22 73.12 0.79 Allowed Glycine 0 CA--C 1.532 1.126 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 52.3 p-10 -135.08 -24.12 1.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.49 0.186 . . . . 0.0 111.375 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.21 7.67 84.77 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.461 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 28.9 mt-30 -134.4 153.87 51.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.9 mm -103.34 115.38 45.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.613 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -82.27 160.66 22.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 142' ' ' VAL . 63.4 t80 -52.33 -53.47 43.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.88 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.613 ' CG ' HD22 ' A' ' 137' ' ' ASN . 16.4 pt-20 -53.66 -41.61 66.99 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.758 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 38.3 tt0 -68.16 -38.69 82.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.55 -37.81 82.46 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.9 t -67.29 -41.88 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.256 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.09 -46.48 87.16 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.863 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -74.29 -42.92 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.474 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.539 ' N ' HG13 ' A' ' 144' ' ' VAL . 39.0 tpp -66.26 -43.93 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.171 0.51 . . . . 0.0 110.857 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.718 179.464 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.147 0.498 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.65 -35.41 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.76 -40.58 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.103 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.59 -40.0 88.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.165 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.74 -43.71 97.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -65.13 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.716 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.8 -44.42 89.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.38 90.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.04 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.89 -44.81 96.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.255 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -61.23 -34.78 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.423 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.2 -44.58 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.307 0.575 . . . . 0.0 109.674 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' A' ' 108' ' ' VAL . 33.0 m-85 -62.22 -41.07 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.051 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 20.9 t0 -86.01 84.59 7.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -62.97 -49.07 76.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.211 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.464 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 11.1 m-20 -65.54 -34.66 78.78 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER 64.28 51.02 2.2 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.389 1.055 . . . . 0.0 112.413 177.159 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -97.07 8.34 44.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.701 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.9 -6.73 73.37 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 1.5 m-85 -129.02 170.03 13.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.1 mt -118.06 125.54 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 p -104.45 153.2 21.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.929 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.44 -38.34 58.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -55.49 -52.41 63.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.292 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -64.13 -43.58 94.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 HD11 ' A' ' 125' ' ' ILE . 3.7 tt -63.92 -34.78 78.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.08 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 102' ' ' ALA . 59.0 ttp180 -67.55 -44.01 79.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.913 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.3 m80 -66.84 -41.79 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.956 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 104' ' ' GLU . 91.5 t -65.26 -44.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.43 -28.47 69.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.59 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -73.39 -42.15 62.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.36 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.0 -39.34 91.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.783 0.802 . . . . 0.0 109.193 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.68 27.25 8.57 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -133.29 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -89.3 140.29 29.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.726 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.852 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.39 -174.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.634 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -84.01 166.81 17.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -62.81 -35.43 79.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.48 -34.61 63.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.852 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.35 -46.74 72.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -50.52 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.656 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.11 -46.97 84.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -43.06 82.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.626 0.251 . . . . 0.0 110.91 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.6 ttp -64.92 -42.88 94.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.527 0.679 . . . . 0.0 110.331 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.445 HD11 HD13 ' A' ' 105' ' ' LEU . 24.6 mm -68.35 -43.9 83.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.555 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 129' ' ' ASP . 62.6 ttp180 -68.96 -34.29 75.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.151 0.5 . . . . 0.0 110.148 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -73.29 -43.81 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.226 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -74.53 -17.27 60.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.344 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 46.2 t0 -104.26 125.33 50.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 122.056 0.932 . . . . 0.0 110.637 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.547 HG22 ' OE2' ' A' ' 140' ' ' GLU . 31.3 m -124.37 -17.16 4.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.911 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 27.9 p30 -98.61 -6.99 28.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 64.19 25.88 70.02 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.491 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 33.3 p-10 -71.91 11.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 62.82 0.75 3.09 Favored Glycine 0 C--N 1.333 0.399 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.472 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 73.2 mt-30 -143.41 -174.45 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.07 127.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -81.32 156.77 25.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 64.2 t80 -50.04 -57.18 8.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 1.8 pm0 -48.71 -45.17 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.642 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.547 ' OE2' HG22 ' A' ' 130' ' ' VAL . 42.0 tt0 -64.54 -40.73 96.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.976 0.417 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.71 -42.56 97.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 58.9 t -60.24 -43.9 94.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.182 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.55 -45.14 94.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.921 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 -46.61 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 111.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.0 tpp -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.464 . . . . 0.0 111.005 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.454 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -57.68 -44.28 85.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 48.5 mp0 -61.13 -39.82 91.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 109.883 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.17 -38.48 90.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.382 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.89 -44.37 97.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 109.885 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.43 -32.22 73.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 91' ' ' VAL . 69.5 mm-40 -63.97 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.335 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.96 -45.81 92.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.685 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -59.25 -33.13 70.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.123 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 87' ' ' GLU . 50.6 t -65.6 -45.64 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.614 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.99 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.697 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 40.5 t0 -81.56 88.9 6.17 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -60.0 -46.93 87.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 26.4 m-20 -71.32 -9.79 58.71 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.844 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' ASP . 1.0 OUTLIER 42.13 48.2 4.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.153 0.908 . . . . 0.0 112.301 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -105.47 4.86 31.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.991 0.424 . . . . 0.0 110.547 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.94 23.79 34.29 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 72.5 m-85 -149.49 149.14 30.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.02 127.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -112.81 157.03 21.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.979 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.83 63.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.05 -53.89 43.52 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.525 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 61.2 mt-10 -60.76 -43.63 97.76 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.21 -40.15 95.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.61 -42.99 97.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.71 -44.25 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.984 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 104' ' ' GLU . 99.2 t -66.24 -43.68 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.019 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.2 mmt -63.15 -39.3 94.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.845 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -67.24 -43.98 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.256 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -61.68 -42.05 98.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.931 0.872 . . . . 0.0 109.15 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.59 -44.41 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.8 6.89 45.7 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.87 76.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 113.966 -1.117 . . . . 0.0 108.166 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -105.74 134.71 48.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.855 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -110.42 -175.99 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.963 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -70.09 169.11 14.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.604 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.91 -40.95 99.16 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.044 0.45 . . . . 0.0 110.015 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.4 mp0 -69.26 -36.39 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -66.14 -44.91 82.81 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.15 -47.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.997 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -67.56 -51.33 51.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.32 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -55.66 -41.12 73.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.744 0.307 . . . . 0.0 110.807 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 ttp -64.38 -41.38 96.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.502 0.668 . . . . 0.0 109.981 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.27 -45.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.255 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.83 -34.59 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.165 0.507 . . . . 0.0 110.102 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.21 -34.92 77.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -81.37 -13.84 57.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.229 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -102.03 124.01 46.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.11 -18.76 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.27 -14.35 59.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 73.67 0.75 Allowed Glycine 0 CA--C 1.532 1.107 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.413 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.4 p-10 -142.54 -26.13 0.63 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.96 5.95 70.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.97 150.03 52.19 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 136' ' ' ILE . 4.7 mp -106.02 117.88 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -84.21 171.0 13.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.3 t80 -56.05 -45.85 79.12 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.935 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.9 pt-20 -57.85 -46.21 85.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.95 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 34.5 tt0 -67.02 -37.24 83.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.293 0.568 . . . . 0.0 110.018 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.87 -41.99 97.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.333 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 138' ' ' TYR . 68.5 t -60.79 -43.6 95.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.087 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -63.28 -44.49 94.91 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.912 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.671 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.8 t -68.35 -42.16 84.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.644 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 ttm -71.42 -40.06 70.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.067 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 146' ' ' MET . 2.1 tmt? . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.752 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.23 0.044 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.35 -38.03 89.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.095 0.474 . . . . 0.0 109.824 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.27 -38.26 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.063 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.7 tp -60.91 -44.47 97.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -64.05 -33.04 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.402 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 91' ' ' VAL . 75.0 mm-40 -64.06 -44.61 91.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.94 95.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.361 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -59.63 -45.77 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.307 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -62.18 -32.69 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -67.22 -44.02 87.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.992 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.22 -38.36 90.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.096 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.03 88.49 7.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -45.88 89.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 9.3 t0 -61.84 -45.82 92.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER 77.54 47.18 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.269 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 42.1 p30 -111.27 9.07 21.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.36 21.4 44.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 77.7 m-85 -147.15 148.04 31.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.657 -0.271 . . . . 0.0 110.656 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.69 116.2 51.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -92.3 155.15 18.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.598 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.34 83.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.83 69.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.723 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 88.4 mt-10 -64.75 -40.44 95.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.746 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 125' ' ' ILE . 10.8 tp -62.55 -40.68 97.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.747 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' THR . 76.1 ttt180 -64.54 -42.08 95.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.02 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.4 m170 -65.06 -40.96 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -65.41 -40.84 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.246 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.3 mmt -64.19 -36.1 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.184 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 28.8 p -72.02 -41.85 67.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.261 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.97 -40.23 97.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 108.815 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.25 -26.81 66.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.32 14.36 35.88 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' MET . 66.4 mm-40 -106.51 135.26 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.092 -1.054 . . . . 0.0 108.595 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 116' ' ' LEU . 33.2 pttt -121.3 99.79 6.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 111.23 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -103.99 154.95 19.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.636 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -84.43 174.66 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.759 178.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.5 p-10 -63.02 -40.85 98.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 109.944 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.9 mt-10 -63.21 -43.46 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.172 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.636 ' H ' HG23 ' A' ' 117' ' ' THR . 65.7 mm-40 -66.35 -45.07 81.44 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.34 -48.56 87.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.232 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.2 -50.02 65.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.654 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.6 -45.03 77.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.489 0.661 . . . . 0.0 110.186 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.0 mm -67.89 -44.82 84.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 129' ' ' ASP . 90.0 mtm180 -65.17 -35.94 82.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.347 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.94 -40.15 75.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.74 -18.14 38.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.293 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 126' ' ' ARG . 68.2 t0 -96.54 121.95 38.92 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.44 -11.9 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 133' ' ' ASP . 67.5 m-20 -86.32 -6.76 58.88 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 174.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.68 -8.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.732 0 CA-C-N 113.364 -1.743 . . . . 0.0 112.853 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 131' ' ' ASP . 45.6 p-10 -41.99 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 88.79 1.42 80.2 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.42 ' C ' HD12 ' A' ' 136' ' ' ILE . 80.4 mt-30 -130.76 148.52 52.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -101.45 118.92 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.562 ' ND2' ' CG ' ' A' ' 139' ' ' GLU . 0.7 OUTLIER -84.99 160.08 20.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.165 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 58.7 t80 -52.12 -52.37 51.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.916 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CG ' ' ND2' ' A' ' 137' ' ' ASN . 21.2 pt-20 -52.16 -43.26 64.0 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.701 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.38 -39.42 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 38.8 t80 -62.09 -40.45 95.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.481 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 55.5 t -63.29 -41.72 93.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.158 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -60.41 -48.37 82.04 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -73.37 -41.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.818 0.342 . . . . 0.0 111.45 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -66.1 -43.67 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.666 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.479 179.828 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.79 -43.27 80.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.198 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 33.6 mp0 -63.46 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.98 -39.57 93.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.393 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 142' ' ' VAL . 37.7 tp -61.12 -43.91 98.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -63.46 -32.65 74.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.527 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.6 mt-10 -65.16 -43.58 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.45 98.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.347 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.27 -45.04 94.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.335 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -61.56 -32.47 72.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -66.39 -44.43 90.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.37 0.605 . . . . 0.0 109.644 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' HA ' HG21 ' A' ' 108' ' ' VAL . 36.1 m-85 -62.81 -39.59 94.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.663 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.5 80.82 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 15.6 pttp -59.9 -43.39 94.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.368 0.604 . . . . 0.0 109.601 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 24.6 m-20 -63.41 -27.89 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.216 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 66.56 37.16 4.6 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.936 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -88.84 -3.15 58.83 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.933 0.396 . . . . 0.0 109.948 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.84 72.85 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -135.0 137.27 42.84 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -88.94 134.8 27.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.9 t -116.94 158.46 24.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.42 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.08 -40.54 70.49 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.7 58.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.676 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 63.4 mt-10 -65.67 -40.82 92.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.54 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.52 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . 55.9 ttp180 -63.76 -46.7 84.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.89 -43.41 83.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -63.96 -44.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.303 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -66.71 -27.52 67.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.614 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.0 m -73.53 -41.42 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.221 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -65.54 -39.04 91.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.996 0.903 . . . . 0.0 108.873 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -50.99 -25.64 4.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.783 -1.553 . . . . 0.0 111.194 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.83 18.39 47.83 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 -177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -112.89 142.31 45.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 113.73 -1.235 . . . . 0.0 107.799 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -123.33 100.11 6.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.33 0.586 . . . . 0.0 111.414 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.605 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -100.73 153.06 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.074 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -82.54 172.15 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.882 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.27 -38.47 91.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.786 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.53 -41.33 80.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.27 -44.12 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.76 -47.67 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.186 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.45 -49.1 74.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -55.64 -43.49 76.26 Favored 'General case' 0 CA--C 1.523 -0.07 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.94 -42.93 94.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.625 0.726 . . . . 0.0 110.168 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mm -68.64 -45.0 82.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -67.99 -36.24 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.096 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -70.2 -38.29 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.439 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.04 -18.23 50.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.915 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 4.6 m-20 -93.88 121.95 35.87 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.44 -13.07 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.557 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.3 m-20 -99.38 10.34 41.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 171.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.18 6.49 0.1 OUTLIER Glycine 0 C--N 1.357 1.743 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.68 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 131' ' ' ASP . 85.5 m-20 -49.87 -22.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.535 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.4 3.18 88.77 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.449 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 26.7 mt-30 -123.31 136.22 54.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.53 109.71 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -77.81 160.3 28.43 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.736 ' O ' HG23 ' A' ' 142' ' ' VAL . 61.1 t80 -48.93 -45.73 42.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.749 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.63 -41.81 99.23 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.348 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -66.56 -40.87 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.77 -38.54 88.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.931 0.872 . . . . 0.0 108.84 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 138' ' ' TYR . 79.2 t -66.83 -40.75 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.403 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -60.37 -49.25 78.32 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.586 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -71.73 -43.35 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.627 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 144' ' ' VAL . 62.1 tpp -62.71 -47.05 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.124 0.488 . . . . 0.0 110.972 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.7 mmm . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.443 -179.835 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -58.2 -37.64 75.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.257 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.18 -37.99 89.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.38 -40.5 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.221 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.2 tp -61.46 -43.54 98.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.223 0.535 . . . . 0.0 109.781 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -63.9 -32.28 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.61 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.5 mt-10 -64.46 -44.1 92.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.07 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.168 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.61 -45.47 91.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.22 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.79 -32.47 73.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.2 t -66.52 -43.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 109.939 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.21 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -87.81 89.11 7.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.02 -34.99 78.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.974 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 66.34 48.45 1.59 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.599 0.562 . . . . 0.0 111.775 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -109.69 6.36 23.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.192 0.52 . . . . 0.0 109.731 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.8 26.24 35.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 83.4 m-85 -153.98 126.41 8.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.567 0.222 . . . . 0.0 110.822 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.5 mt -89.85 128.54 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -106.75 157.98 17.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.519 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.516 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -58.2 -43.81 87.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.536 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.77 -50.06 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.949 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.47 -40.42 93.14 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.863 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.15 -36.16 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.747 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 110' ' ' THR . 74.8 ttt180 -65.0 -42.85 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.057 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.1 m80 -64.69 -41.6 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.99 -40.77 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.1 mmt -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.497 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 106' ' ' ARG . 21.3 p -75.55 -39.09 58.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 110.339 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.4 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.039 0.924 . . . . 0.0 108.862 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.41 -39.71 91.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.119 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.56 21.88 7.68 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -103.57 136.67 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -103.42 81.13 1.89 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.959 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.617 HD13 ' OE1' ' A' ' 120' ' ' GLU . 3.8 mm? -81.05 155.73 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.062 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -103.41 170.45 7.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.602 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -64.77 -40.07 94.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -69.43 -39.43 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.796 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.617 ' OE1' HD13 ' A' ' 116' ' ' LEU . 99.0 mt-10 -65.44 -43.29 90.9 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 41.8 t -61.43 -49.15 85.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.052 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 126' ' ' ARG . 19.7 t70 -61.98 -48.04 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.051 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.71 -42.09 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 110.702 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.3 ttt -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.901 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.12 -50.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.263 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 122' ' ' ASP . 71.9 mtt85 -64.83 -37.17 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.704 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.65 -36.46 80.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -87.29 -20.84 26.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 126' ' ' ARG . 58.9 m-20 -99.32 127.67 45.36 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.302 0.2 OUTLIER -124.67 -5.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.972 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -95.53 -1.64 50.16 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.44 14.75 50.32 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.754 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 42.0 p-10 -53.82 -29.07 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.04 2.63 80.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.43 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 42.8 mt-30 -131.84 148.17 52.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.446 HD13 ' OD1' ' A' ' 129' ' ' ASP . 9.5 mm -101.92 113.32 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.18 160.46 23.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.467 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 60.8 t80 -50.15 -59.16 4.2 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.179 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.91 -44.03 39.83 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.993 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.27 -39.91 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -61.41 -42.34 98.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 74.2 t -60.03 -43.79 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.446 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -44.55 95.92 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.081 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.496 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.3 t -69.24 -45.55 79.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.5 tpp -69.6 -41.5 75.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 110.973 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.691 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -56.46 -44.59 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.979 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG3' ' HZ3' ' A' ' 86' ' ' LYS . 46.1 tp10 -57.6 -41.06 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -62.66 -38.69 91.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.34 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.064 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.987 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.625 ' HZ3' ' HG3' ' A' ' 82' ' ' GLU . 60.8 mttp -63.58 -33.38 75.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.479 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.0 mt-10 -63.83 -43.78 95.18 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.343 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.08 -45.24 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.111 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.73 -34.02 76.32 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.886 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.9 t -67.17 -44.17 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.075 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -65.18 -38.85 91.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.273 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 45.1 t0 -84.55 88.11 7.3 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.261 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 8.9 t0 -58.73 -31.08 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.55 45.96 7.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.625 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.472 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.8 p30 -111.43 7.05 20.67 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.029 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.1 23.86 33.65 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 88.7 m-85 -147.2 147.71 30.76 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.56 125.41 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.4 154.83 20.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.108 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.19 -42.48 77.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.26 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.808 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.0 mt-10 -65.27 -43.71 90.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.781 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 125' ' ' ILE . 8.1 tp -65.03 -37.71 88.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.631 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 76.9 ttt-85 -61.8 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.923 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -66.19 -41.88 89.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.1 t -62.24 -43.78 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.193 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 mmt -65.77 -34.93 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -65.09 -45.29 85.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.214 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -64.84 -39.38 93.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.682 0.754 . . . . 0.0 109.382 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.44 -23.0 0.81 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.88 12.63 60.26 Favored Glycine 0 N--CA 1.46 0.237 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -109.97 141.47 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.005 -1.097 . . . . 0.0 108.419 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -122.02 98.31 5.88 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.009 0.433 . . . . 0.0 111.304 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 9.0 mp -98.03 155.14 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.986 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 118' ' ' ASP . 63.3 m -79.87 166.59 21.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.576 ' N ' HG22 ' A' ' 117' ' ' THR . 34.3 m-20 -63.6 -40.02 95.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.002 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -65.18 -40.39 94.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.475 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -66.39 -43.78 84.89 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.05 -47.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.9 -49.68 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.6 -44.1 76.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.693 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.44 -41.71 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.513 0.673 . . . . 0.0 109.878 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 105' ' ' LEU . 10.3 mm -67.1 -46.84 83.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.456 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -67.63 -37.06 81.94 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.02 -33.26 75.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -89.97 -9.0 50.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.36 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.6 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 29.6 t0 -98.41 106.13 18.37 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 122.118 0.961 . . . . 0.0 110.029 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -36.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.368 -176.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 133' ' ' ASP . 43.7 m-20 -91.97 2.26 56.66 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 56.67 -2.12 0.09 OUTLIER Glycine 0 CA--C 1.535 1.338 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.527 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 131' ' ' ASP . 40.8 p-10 -43.87 -19.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.703 0.252 . . . . 0.0 111.655 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.6 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 92.14 -0.72 72.61 Favored Glycine 0 N--CA 1.465 0.617 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.1 mm-40 -136.95 154.83 50.34 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 56.7 mt -113.7 118.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.67 170.62 14.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 56.4 t80 -59.22 -49.7 76.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.199 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 12.6 pt-20 -50.21 -48.01 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 109.961 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 144' ' ' VAL . 38.0 tt0 -67.76 -38.17 83.1 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.452 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 14.0 t80 -60.66 -42.06 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 48.2 t -60.37 -44.66 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.686 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.47 -44.22 95.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.715 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 140' ' ' GLU . 59.5 t -69.17 -44.23 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.021 0.439 . . . . 0.0 110.979 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.452 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 30.4 mmt -66.7 -40.67 88.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.284 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.5 ttp -65.49 -43.22 90.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.82 -99.22 0.34 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.315 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 m -59.3 -46.83 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.986 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.74 -39.53 81.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.63 -40.07 86.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.087 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -65.09 -46.99 78.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.415 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 57.8 tp -57.46 -46.15 83.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.229 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HZ2' ' HB2' ' A' ' 86' ' ' LYS . 9.4 mtmp? -63.26 -31.11 72.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.682 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.49 -42.67 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.235 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 100' ' ' ILE . 73.7 t80 -61.36 -44.95 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.035 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HG3' ' OE1' ' A' ' 96' ' ' GLN . 64.9 ttp85 -59.52 -33.05 70.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.242 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.59 -45.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.237 0.541 . . . . 0.0 109.541 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.23 -41.49 99.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.613 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.55 86.66 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.076 0.465 . . . . 0.0 112.069 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.65 -46.03 91.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.669 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -62.6 -45.2 93.97 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.22 50.23 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.885 0.741 . . . . 0.0 110.901 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -105.66 7.37 32.63 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.65 63.76 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -124.66 158.48 33.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 110.522 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' A' ' 89' ' ' PHE . 79.6 mt -118.36 127.24 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -99.78 153.23 19.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.15 -42.86 73.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.07 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.9 mt-10 -63.84 -41.41 97.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.88 -38.91 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.281 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' ALA . 56.3 ttp180 -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -65.83 -41.88 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.916 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.3 t -62.86 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.067 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 7.2 mmt -63.88 -36.65 84.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.0 m -63.58 -43.92 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.083 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -60.72 -35.41 76.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.824 0.821 . . . . 0.0 109.123 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.43 91.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.118 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.81 16.14 20.35 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.493 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 96.6 mt-10 -98.09 135.42 39.79 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -116.66 90.38 3.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.502 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.1 mp -94.45 153.95 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.893 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 p -82.55 169.06 16.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.745 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.26 -40.31 95.8 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.82 -40.09 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.837 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -65.55 -44.81 85.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 119.763 -0.775 . . . . 0.0 108.938 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.17 -48.38 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.089 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.84 -49.97 68.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.274 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -54.88 -44.26 73.93 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.8 -42.05 95.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.573 0.701 . . . . 0.0 110.281 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.1 mm -66.42 -45.72 88.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.003 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -67.57 -35.86 79.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.239 0.543 . . . . 0.0 109.806 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -69.07 -39.87 78.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -76.74 -20.22 56.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.528 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.35 125.25 41.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.4 m -128.84 -19.22 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.067 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.2 p-10 -77.22 -11.89 59.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 71.44 72.6 0.9 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.221 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.0 p-10 -143.15 -26.28 0.59 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.544 0.211 . . . . 0.0 111.024 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.1 6.29 86.65 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -124.36 140.78 52.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.453 ' N ' HD12 ' A' ' 136' ' ' ILE . 1.8 mp -98.41 112.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -81.37 164.14 22.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.6 t80 -53.92 -46.34 71.46 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.908 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.5 pt-20 -56.77 -42.62 79.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.853 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 32.1 tt0 -69.02 -38.32 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 75.0 t80 -59.2 -40.05 84.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.4 t -65.54 -41.52 91.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.058 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.37 -48.36 81.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.535 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 145' ' ' MET . 35.3 m -72.31 -40.47 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 111.665 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.487 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.7 ttm -70.35 -45.85 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.3 ttm -66.79 -42.26 86.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.577 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.735 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.715 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -58.75 -46.36 87.61 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.921 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.32 -39.26 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 87' ' ' GLU . 83.3 tt0 -62.88 -39.32 94.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 109.955 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -64.95 -40.38 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.134 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.05 97.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.209 0.528 . . . . 0.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.75 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.448 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.553 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.05 -45.28 86.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.01 96.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.892 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.2 t80 -62.26 -45.06 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.442 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.49 ' NH2' ' OE1' ' A' ' 96' ' ' GLN . 13.3 mmm180 -61.95 -34.71 76.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.069 0.461 . . . . 0.0 110.382 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.1 t -67.53 -42.23 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.483 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.745 ' HA ' HG21 ' A' ' 108' ' ' VAL . 4.5 m-30 -61.15 -40.55 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.369 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -83.12 92.3 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.49 -47.71 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.473 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.02 -36.2 81.58 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.003 0.43 . . . . 0.0 112.121 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.67 43.77 0.23 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.591 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.76 6.0 49.53 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.712 -0.618 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 -4.85 79.8 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -127.06 159.11 35.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 89' ' ' PHE . 89.4 mt -115.12 127.08 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.22 151.42 23.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.181 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.09 52.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.57 78.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.536 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.0 mt-10 -67.23 -45.01 78.06 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.909 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 110' ' ' THR . 68.8 ttt180 -63.53 -43.06 98.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.826 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -64.24 -45.97 85.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.745 HG21 ' HA ' ' A' ' 92' ' ' PHE . 62.1 t -66.42 -40.62 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.31 -38.95 92.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.717 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.2 m -62.95 -41.11 99.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.953 0.406 . . . . 0.0 110.124 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.03 -31.38 71.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.673 0.749 . . . . 0.0 109.352 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -39.94 84.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.08 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.93 22.26 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 107.621 -2.192 . . . . 0.0 107.621 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.17 133.77 47.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.953 -1.123 . . . . 0.0 108.246 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -111.99 92.62 4.1 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 110.908 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 116' ' ' LEU . 5.7 mp -89.74 147.24 23.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.945 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 118' ' ' ASP . 65.6 m -77.03 168.04 20.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 117' ' ' THR . 33.2 t70 -62.51 -40.03 95.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.94 -37.37 84.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.28 -45.23 77.21 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.27 -49.51 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.251 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.85 -49.02 76.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 110.885 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.64 -41.45 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.772 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -65.14 -42.88 93.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.485 0.659 . . . . 0.0 110.101 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -66.2 -44.69 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.459 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 129' ' ' ASP . 2.6 mpt_? -68.56 -34.47 75.89 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -71.02 -41.8 70.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.49 -20.67 50.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 126' ' ' ARG . 46.1 t0 -100.48 125.17 46.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -11.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.59 -12.07 56.54 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.8 -1.66 21.63 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.984 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.538 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 56.1 m-20 -42.29 -26.62 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.762 -0.258 . . . . 0.0 111.087 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.32 69.7 Favored Glycine 0 N--CA 1.466 0.687 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -140.64 159.79 41.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -104.21 115.06 45.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.93 167.73 18.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 65.9 t80 -56.19 -48.47 76.3 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.674 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -54.28 -45.21 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.515 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 -36.77 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.471 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 61.5 t80 -60.35 -42.69 96.24 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 54.6 t -63.68 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.803 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.4 -48.76 79.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.78 -39.55 59.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.471 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 9.7 mmt -70.28 -45.9 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.0 ttm -66.97 -39.98 87.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -61.34 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 147' ' ' ALA . 86.4 tttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.5 m -57.64 -44.48 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -57.07 -40.05 76.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.26 -37.25 86.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 109.884 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -65.73 -41.23 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.27 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.03 -44.15 97.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 0.0 109.832 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 64.9 mttm -63.83 -31.58 72.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.668 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 91' ' ' VAL . 80.1 tt0 -64.9 -44.31 89.99 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.31 98.22 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.485 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.73 -46.51 87.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.295 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.747 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -67.3 -44.36 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.262 0.553 . . . . 0.0 109.76 178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -63.72 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.341 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 27.4 t0 -98.57 80.51 2.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.886 0.374 . . . . 0.0 111.978 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 107' ' ' HIS . 60.5 pttt -60.11 -38.57 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 35.5 t0 -55.55 -23.45 26.76 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.366 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 95' ' ' ASP . 0.6 OUTLIER 61.52 31.49 18.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -98.96 -4.3 33.03 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.3 28.59 24.66 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 69.2 m-85 -152.46 132.96 13.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -91.43 123.1 43.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 p -108.19 158.05 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.2 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -57.16 -42.25 80.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.76 -51.01 71.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.88 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 108' ' ' VAL . 77.2 mt-10 -65.64 -42.26 91.67 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.497 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -65.1 -37.0 86.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.188 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.6 ttp180 -63.81 -43.09 97.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.021 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 52.7 m80 -65.59 -41.49 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.2 t -67.7 -40.63 84.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.416 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.1 mmt -66.88 -31.49 72.12 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.6 p -74.88 -38.51 61.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.385 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -65.21 -38.5 90.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 122.018 0.913 . . . . 0.0 108.882 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.51 -38.25 86.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.936 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.7 19.16 9.95 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -99.96 132.8 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 113.944 -1.128 . . . . 0.0 108.082 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' C ' HD12 ' A' ' 116' ' ' LEU . 59.8 mttp -117.92 91.78 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.045 0.45 . . . . 0.0 110.95 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.9 mp -99.29 150.54 22.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.91 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -82.7 172.98 12.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.707 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.82 -37.42 86.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.809 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -68.66 -39.8 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.097 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.89 -44.36 85.49 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.81 -49.29 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.142 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.21 -48.71 72.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.07 -44.81 79.29 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.9 ttp -63.94 -42.48 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.531 0.682 . . . . 0.0 110.223 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mm -68.15 -43.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.605 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.73 -34.85 79.14 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.796 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -70.6 -40.65 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.738 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -14.57 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.71 116.93 30.88 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.353 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.01 -22.1 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.859 0.361 . . . . 0.0 110.3 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -94.73 -1.79 52.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.28 10.21 15.03 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -44.04 -20.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 86.77 -0.95 86.85 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.427 ' C ' HD12 ' A' ' 136' ' ' ILE . 85.6 mt-30 -141.0 157.81 44.81 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -103.24 110.74 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 44.5 t30 -81.35 163.06 23.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 142' ' ' VAL . 56.1 t80 -52.36 -46.53 66.17 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.85 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.5 -43.88 84.56 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.305 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.44 -38.53 87.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.995 0.426 . . . . 0.0 109.908 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 44.7 t80 -62.18 -37.84 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.812 0.815 . . . . 0.0 109.253 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.6 t -66.59 -42.06 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.741 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.39 -47.9 82.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.742 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 145' ' ' MET . 7.1 p -73.28 -45.27 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.521 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.557 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.3 ttm -64.04 -46.34 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.35 -41.2 94.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.03 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.737 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -58.61 -46.84 86.16 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.901 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.29 -41.04 83.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.256 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -62.38 -40.43 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 109.884 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.93 -44.21 90.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 142' ' ' VAL . 44.5 tp -57.29 -44.41 84.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.96 -31.31 72.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.526 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.3 mt-10 -66.62 -42.42 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.499 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.0 t80 -60.68 -47.85 84.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.482 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -61.36 -33.33 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.146 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.5 t -68.55 -44.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.977 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.54 -40.76 97.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.127 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 67.1 t0 -90.66 89.41 7.51 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 0.5 OUTLIER -56.65 -41.94 78.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.909 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 22.0 m-20 -66.38 -23.91 66.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.767 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 45.53 49.21 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.078 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -99.61 1.58 43.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.682 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.1 15.28 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 89.2 m-85 -151.05 150.98 31.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.657 0.265 . . . . 0.0 110.645 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 141' ' ' PHE . 88.2 mt -115.36 129.66 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 t -116.23 154.91 29.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.064 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.27 -40.56 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -55.52 20.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.66 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.5 mt-10 -62.8 -42.1 99.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.863 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' A' ' 109' ' ' MET . 3.9 tp -62.37 -40.56 96.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.656 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' ALA . 77.6 ttt-85 -65.99 -43.65 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.068 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -67.12 -45.1 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.9 t -64.41 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.18 -35.15 80.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.889 178.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.7 m -63.21 -45.12 93.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.818 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.03 -37.52 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -41.79 97.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.176 -1.375 . . . . 0.0 110.139 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.78 57.21 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -111.0 76.15 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 113.691 -1.254 . . . . 0.0 108.48 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -104.46 139.94 38.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.068 0.461 . . . . 0.0 110.744 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -111.44 -174.71 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.673 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.1 p -74.17 168.46 19.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.573 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.53 -40.44 96.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.733 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -67.43 -36.15 80.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -68.96 -46.01 69.24 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.19 -49.43 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.964 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.33 -49.38 67.19 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.844 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -56.24 -42.13 76.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.4 ttp -64.54 -41.61 96.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.368 0.604 . . . . 0.0 110.195 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 10.5 mm -67.38 -45.88 84.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 129' ' ' ASP . 96.5 mtt180 -67.19 -33.71 75.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.27 0.557 . . . . 0.0 110.043 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.84 -34.09 73.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.273 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.53 40.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.324 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 66.5 t0 -101.59 123.82 46.23 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.65 -8.92 6.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 133' ' ' ASP . 61.1 m-20 -90.91 -2.51 57.72 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.05 -2.1 0.28 Allowed Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.764 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.6 p-10 -45.93 -24.88 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 111.168 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 93.56 2.12 65.61 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -136.12 152.65 51.06 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.3 mp -109.79 119.41 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -80.17 168.21 19.39 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.048 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 141' ' ' PHE . 71.9 t80 -52.46 -65.77 0.5 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.977 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.4 pt-20 -42.51 -45.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.046 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 74.6 tt0 -67.52 -36.83 81.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 138' ' ' TYR . 39.6 t80 -62.52 -37.04 84.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 85' ' ' LEU . 67.5 t -66.38 -41.01 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.923 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -48.73 80.48 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 145' ' ' MET . 34.4 m -73.47 -39.6 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.451 ' N ' HG23 ' A' ' 144' ' ' VAL . 49.4 tpp -69.78 -44.82 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.505 . . . . 0.0 110.681 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.74 -39.51 84.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.573 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.441 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 t -48.29 -43.22 32.71 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.058 0.456 . . . . 0.0 109.934 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.27 -40.06 80.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.573 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.162 0.506 . . . . 0.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 5.9 mt-10 -65.53 -41.27 93.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.98 -43.3 95.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.899 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -63.75 -32.36 73.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.2 mt-10 -65.52 -43.05 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.3 91.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.538 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.72 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.588 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 87' ' ' GLU . 38.2 t -66.18 -46.27 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.748 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -60.09 -41.8 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.177 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 43.9 t0 -81.29 92.22 6.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.576 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.01 -46.9 81.97 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.82 -39.52 83.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.669 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 44.9 tt0 70.05 51.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.62 3.42 21.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.091 0.472 . . . . 0.0 110.118 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 93.62 29.71 9.75 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 81.6 m-85 -156.13 154.9 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.49 129.82 74.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -111.49 154.05 25.29 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.044 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.98 -41.19 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.57 67.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.488 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 47.6 mt-10 -62.5 -44.18 97.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.498 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.2 tp -63.65 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 80.3 ttt180 -65.0 -42.72 94.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.984 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -66.83 -43.75 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.21 -43.46 95.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.52 -33.9 77.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.096 0.474 . . . . 0.0 109.822 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.8 m -65.36 -45.62 83.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.901 0.858 . . . . 0.0 108.878 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -41.96 79.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.417 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.03 11.32 Favored Glycine 0 N--CA 1.459 0.183 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -99.91 137.78 37.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -117.37 88.61 2.94 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.165 0.507 . . . . 0.0 111.098 -178.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.0 mp -87.28 165.93 15.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.89 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.3 t -103.23 170.42 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.613 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 36.2 p-10 -60.61 -40.08 90.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 41.8 tt0 -64.03 -43.61 95.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.417 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 117' ' ' THR . 61.7 mm-40 -65.78 -46.91 76.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.49 -48.53 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.73 -49.94 64.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -55.28 -45.37 76.2 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.759 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -64.14 -43.29 95.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.401 0.62 . . . . 0.0 110.225 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -67.73 -45.63 84.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.219 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.44 -35.23 79.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 110.205 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -69.93 -38.73 76.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.517 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.534 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -80.8 -13.06 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.99 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.54 127.99 54.87 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.479 0.657 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.61 -12.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 C-N-CA 124.348 1.059 . . . . 0.0 109.568 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -94.5 -10.46 32.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.9 11.77 61.25 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 113.745 -1.571 . . . . 0.0 111.739 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 40.2 p-10 -54.59 -33.74 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 101.22 0.98 54.22 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 2.9 mp0 -143.08 160.81 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 8.7 mm -99.42 117.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 1.1 m-20 -78.18 163.68 25.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 142' ' ' VAL . 59.3 t80 -54.09 -50.7 66.22 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.228 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.3 pt-20 -57.64 -44.02 85.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.867 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 33.0 tt0 -64.47 -35.28 80.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.579 . . . . 0.0 109.773 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 15.2 t80 -63.92 -40.86 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.406 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.1 t -60.88 -43.72 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.89 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.35 -46.18 91.32 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.338 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.534 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.8 t -69.48 -44.2 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 31.1 mmt -65.43 -42.66 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.581 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.8 mmm -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.565 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.29 -3.4 1.9 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.725 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.509 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 81' ' ' SER . 30.6 p30 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.537 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.6 m -59.24 -47.08 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.183 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.21 -42.66 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 56.0 mp0 -63.39 -38.91 92.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -64.93 -40.54 95.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.323 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.45 -43.82 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.188 0.518 . . . . 0.0 110.039 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.8 mttm -63.68 -32.11 73.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.6 mm-40 -65.18 -43.47 91.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.59 97.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.382 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.43 -45.55 93.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.382 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 65.7 ttp85 -61.81 -33.63 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.48 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 87' ' ' GLU . 53.0 t -66.85 -45.6 87.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.337 0.589 . . . . 0.0 109.861 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.7 -40.31 96.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.362 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.526 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 44.1 t0 -83.23 88.89 6.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -177.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -62.41 -47.79 82.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 50.5 m-20 -62.88 -19.01 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.313 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 42.0 mm-40 53.1 42.03 32.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -103.19 6.76 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.136 0.88 . . . . 0.0 110.109 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.78 27.2 32.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 78.3 m-85 -150.97 151.21 31.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.535 -0.332 . . . . 0.0 110.347 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -113.73 127.65 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.7 t -112.26 156.6 22.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.986 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.14 67.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.08 40.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.632 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.5 mt-10 -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.633 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.513 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.3 tp -61.43 -41.07 96.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.739 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -66.25 -42.49 88.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.09 -46.03 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.448 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.0 t -64.37 -42.98 96.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.188 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -64.32 -34.79 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.578 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.3 m -65.7 -43.23 89.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 110.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.85 -37.07 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.854 0.835 . . . . 0.0 108.911 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -42.48 81.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.083 -1.417 . . . . 0.0 110.308 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.81 20.82 9.58 Favored Glycine 0 N--CA 1.46 0.256 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.82 140.04 37.61 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.2 89.74 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.5 mp -92.62 152.33 19.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.964 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.0 t -88.64 171.55 9.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.94 -40.41 97.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.083 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.03 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.427 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.643 ' H ' HG23 ' A' ' 117' ' ' THR . 60.0 mm-40 -66.51 -44.89 81.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.6 -50.25 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.209 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.46 -48.67 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -54.79 -43.92 73.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.966 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.85 -43.13 89.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.464 0.649 . . . . 0.0 110.52 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.448 HD11 HD22 ' A' ' 105' ' ' LEU . 21.1 mm -66.44 -44.59 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.606 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -68.95 -34.17 74.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.187 0.518 . . . . 0.0 110.113 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -70.29 -39.68 74.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.21 -11.98 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 31.6 m-20 -97.63 115.4 27.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.867 0.365 . . . . 0.0 111.071 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 130' ' ' VAL . 40.0 t -105.58 -26.01 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.922 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.282 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.0 m-20 -90.14 -3.68 57.75 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 61.92 -5.89 0.31 Allowed Glycine 0 CA--C 1.533 1.177 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 131' ' ' ASP . 47.5 p-10 -43.2 -23.82 0.06 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.837 0.351 . . . . 0.0 110.685 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 132' ' ' GLY . . . 92.34 3.15 67.43 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.39 155.2 49.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.1 mp -108.61 115.9 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 20.9 t-20 -81.06 167.94 19.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.504 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 68.2 t80 -54.37 -61.9 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.252 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -40.3 -46.09 2.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.171 0.51 . . . . 0.0 111.174 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.8 tt0 -69.18 -39.33 78.76 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.934 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 138' ' ' TYR . 23.9 t80 -59.87 -26.12 65.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.139 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.2 -39.77 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.392 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.53 -46.67 88.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.058 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -74.93 -43.75 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.712 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 23.9 mmt -61.29 -45.29 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.463 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 97.7 mmm -67.83 -48.36 66.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.85 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 144' ' ' VAL . . . -128.89 147.64 50.84 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.18 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.352 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -57.5 -46.4 83.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 109.986 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.86 -40.97 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.282 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.05 -39.06 93.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 109.833 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.63 -40.67 95.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.523 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.089 0.471 . . . . 0.0 110.085 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -63.27 -33.05 74.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.0 mm-40 -65.15 -42.37 93.84 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.59 97.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.348 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.62 -45.7 91.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -63.27 -34.36 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.2 t -66.51 -45.65 88.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.697 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -62.65 -40.97 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.286 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 46.2 t0 -86.85 83.83 7.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.034 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.631 ' NZ ' ' CG ' ' A' ' 107' ' ' HIS . 97.4 mttt -61.13 -42.68 98.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.645 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.51 -19.51 64.83 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.316 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 52.82 39.52 29.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.133 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -101.65 6.88 42.18 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.64 28.84 28.37 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 91.5 m-85 -151.52 151.91 32.24 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.39 127.28 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.0 p -108.03 153.95 22.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.583 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -53.21 -40.17 64.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.65 -51.07 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.708 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.0 mt-10 -65.95 -43.11 88.94 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.706 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.9 tp -63.25 -40.89 98.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.298 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 60.7 ttp180 -62.64 -43.44 98.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.631 ' CG ' ' NZ ' ' A' ' 94' ' ' LYS . 2.5 t-80 -67.52 -42.96 81.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.113 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.4 t -62.65 -44.12 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.074 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -69.41 -43.86 72.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.392 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.19 -40.0 94.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.939 0.876 . . . . 0.0 109.25 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 -39.34 91.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.99 13.79 9.82 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 109' ' ' MET . 73.9 mm-40 -103.49 126.63 50.76 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 113.973 -1.114 . . . . 0.0 108.18 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.1 ttpt -119.63 101.3 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.973 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.0 mp -96.99 151.26 19.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.059 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.622 HG22 ' N ' ' A' ' 118' ' ' ASP . 77.2 m -76.41 168.03 20.79 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.767 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.622 ' N ' HG22 ' A' ' 117' ' ' THR . 66.9 t0 -63.39 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.86 -40.21 87.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.974 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -66.37 -44.04 84.25 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.583 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 44.0 t -61.01 -49.38 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.267 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -63.29 -47.28 82.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.26 -41.41 79.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.79 0.329 . . . . 0.0 110.726 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.9 ttp -63.49 -41.63 98.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.639 . . . . 0.0 110.114 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.27 -46.81 83.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.478 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.123 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -70.8 -42.55 70.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.613 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -74.22 -21.25 59.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.4 t0 -91.91 118.96 31.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.453 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -121.72 -22.89 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.922 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.7 p30 -83.87 -11.01 57.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 68.38 74.83 0.56 Allowed Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.417 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 30.7 p-10 -128.7 -27.62 2.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.626 0.251 . . . . 0.0 111.229 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.8 4.01 73.18 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.48 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 57.5 mt-30 -135.91 152.73 51.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.1 mm -104.21 112.87 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.1 OUTLIER -80.54 168.03 19.4 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 142' ' ' VAL . 47.9 t80 -56.11 -49.38 74.04 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.871 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.44 -48.19 77.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 37.3 tt0 -64.25 -36.82 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 36.8 t80 -63.14 -44.3 95.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.02 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 138' ' ' TYR . 43.1 t -58.36 -45.41 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.566 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -43.8 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.866 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.629 HG21 ' HB1' ' A' ' 128' ' ' ALA . 74.2 t -68.72 -43.86 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -76.78 -39.57 51.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -178.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 45.9 ttp -69.48 -47.76 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.05 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.401 ' O ' ' OXT' ' A' ' 148' ' ' LYS . . . -105.79 -99.98 0.33 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.401 ' OXT' ' O ' ' A' ' 147' ' ' ALA . 30.8 mmtp . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.633 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -41.96 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.234 0.54 . . . . 0.0 110.099 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -54.61 -47.6 73.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.169 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -59.83 -38.58 82.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.175 0.512 . . . . 0.0 109.738 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 16.8 tp10 -65.61 -44.46 86.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.717 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 HG22 ' A' ' 142' ' ' VAL . 42.7 tp -58.05 -45.22 87.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.705 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.75 -33.46 75.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.755 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 65.5 mm-40 -61.71 -45.33 94.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.212 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.81 -45.1 93.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.529 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 74.4 mtm180 -62.9 -32.91 74.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.644 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 48.6 t -64.87 -44.87 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.28 0.562 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.598 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -84.19 88.45 7.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.29 -46.94 85.15 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 48.2 m-20 -66.8 -40.09 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 73.76 49.39 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.78 0.675 . . . . 0.0 111.889 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -109.58 5.64 23.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.127 0.489 . . . . 0.0 109.959 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.432 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.93 24.55 32.01 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 71.6 m-85 -148.52 147.98 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.162 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.62 124.72 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -104.95 154.91 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.281 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.53 -40.64 65.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.64 -50.46 68.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.512 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.1 mt-10 -66.32 -43.04 87.29 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.66 -40.89 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.01 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.78 -43.18 94.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.88 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -65.85 -42.58 90.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.12 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 104' ' ' GLU . 86.5 t -64.69 -42.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.227 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.06 -34.34 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.93 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.5 m -67.93 -42.89 80.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.2 -38.15 76.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.919 0.866 . . . . 0.0 108.799 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -54.42 39.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.58 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.74 21.08 5.85 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 108.469 -1.853 . . . . 0.0 108.469 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.98 87.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.876 -1.162 . . . . 0.0 108.102 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.71 156.17 17.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.19 171.47 7.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.755 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.4 p -78.59 172.32 13.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.8 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.865 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.077 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.83 -44.27 86.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.011 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.1 -49.97 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.957 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -63.45 -48.59 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -55.25 -44.18 75.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.913 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -65.79 -42.98 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.47 0.652 . . . . 0.0 110.36 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 20.1 mm -66.99 -44.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 1.4 mmp_? -69.88 -34.42 73.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.552 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -72.11 -41.05 67.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.567 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -77.19 -19.23 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 19.6 m-20 -90.92 118.85 30.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.954 0.407 . . . . 0.0 111.951 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.45 -17.7 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 121.224 0.535 . . . . 0.0 110.663 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 17.1 m-20 -93.69 -5.08 49.37 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.72 0.0 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.195 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.2 p-10 -41.09 -21.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.827 0.346 . . . . 0.0 110.64 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 90.9 1.58 73.05 Favored Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -140.57 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.13 114.44 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 15.2 t-20 -82.68 164.71 20.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 142' ' ' VAL . 68.9 t80 -54.17 -46.43 72.33 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.073 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 13.6 pt-20 -54.96 -43.71 73.71 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.819 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 30.2 tt0 -69.38 -41.14 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.137 0.494 . . . . 0.0 109.979 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.93 -35.88 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.035 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 138' ' ' TYR . 97.0 t -69.92 -41.81 79.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.622 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -48.06 77.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.857 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -70.41 -41.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 144' ' ' VAL . 42.7 tpp -69.86 -41.21 75.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.6 ttt -65.39 -42.46 92.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.42 -56.83 3.15 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.775 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 144' ' ' VAL . 37.0 mtmt . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.707 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 14.6 p-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.443 ' H ' ' CG ' ' A' ' 80' ' ' ASP . 70.5 m -59.92 -47.68 84.77 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.117 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.77 -37.33 76.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.75 -38.97 92.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.981 0.42 . . . . 0.0 109.889 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.58 -47.46 75.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.939 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.56 -44.81 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -64.32 -31.07 72.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.608 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.2 -45.01 90.18 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.33 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.223 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -60.29 -45.25 93.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.232 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -61.87 -33.66 74.6 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.82 -43.93 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.705 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' HG21 ' A' ' 108' ' ' VAL . 38.1 m-85 -64.08 -39.64 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.413 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -86.11 85.98 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.174 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.444 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 13.3 m-20 -63.45 -33.7 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.178 0.513 . . . . 0.0 109.953 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.57 42.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.385 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.24 6.59 48.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.813 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.43 85.37 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -131.73 134.85 46.33 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -84.84 130.85 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -107.38 153.99 21.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.373 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.52 68.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.74 79.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.543 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 67.2 mt-10 -63.49 -41.52 98.55 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.743 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.22 -38.94 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.585 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -63.73 -45.35 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -65.88 -43.04 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.118 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 93.9 t -63.74 -42.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.49 -31.36 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.869 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.3 m -67.22 -43.72 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.114 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.64 -34.58 77.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.669 0.747 . . . . 0.0 109.258 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -42.49 90.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.34 -1.3 . . . . 0.0 110.259 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.23 26.15 8.46 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -101.18 143.96 30.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.036 . . . . 0.0 108.404 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.74 81.42 1.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -87.98 166.26 14.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -107.59 172.04 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.755 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.32 -38.6 90.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.089 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.43 -42.23 92.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.171 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 117' ' ' THR . 53.5 mm-40 -66.86 -45.91 76.68 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.13 -49.0 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.974 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.42 -47.93 77.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.31 -43.46 83.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.662 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -65.86 -44.0 86.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.42 0.628 . . . . 0.0 110.24 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 125' ' ' ILE . 16.8 mm -67.55 -44.47 86.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' ASP . 60.4 ttt85 -67.04 -35.44 79.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.559 . . . . 0.0 109.996 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -71.97 -46.56 56.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.506 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -73.95 -23.25 59.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 126' ' ' ARG . 52.2 t0 -96.83 124.29 40.76 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.88 -11.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -84.46 -7.95 59.12 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.01 -0.9 3.01 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-N 112.884 -1.962 . . . . 0.0 112.501 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.602 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 43.0 p-10 -43.48 -25.6 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.565 0.221 . . . . 0.0 110.967 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.3 0.36 63.23 Favored Glycine 0 N--CA 1.467 0.74 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 11.8 mp0 -140.35 156.23 46.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 116.0 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -79.63 158.91 26.94 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 142' ' ' VAL . 58.6 t80 -51.6 -46.78 63.66 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.805 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.25 -43.16 87.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.661 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.33 -38.46 90.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.62 -44.17 97.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 138' ' ' TYR . 77.5 t -58.19 -43.11 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.351 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.29 -46.68 89.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.272 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.408 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.6 t -69.23 -46.59 77.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.693 0.282 . . . . 0.0 111.484 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 mmt -68.71 -45.02 72.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 44.7 ttm -62.85 -39.28 93.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.299 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.09 2.7 17.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.746 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.542 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 m -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 109.975 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 8.7 tm-20 -56.88 -42.07 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.85 -38.02 89.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 109.883 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -65.22 -38.53 90.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.04 -44.11 97.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.014 0.435 . . . . 0.0 109.955 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.32 -32.65 74.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.568 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.4 mt-10 -63.82 -44.35 93.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.366 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.64 -46.83 86.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.42 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 88.6 mtm180 -64.85 -33.07 75.13 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.374 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.9 t -67.65 -45.09 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.923 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -60.5 -38.94 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.253 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 96' ' ' GLN . 49.3 t0 -84.27 95.16 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -48.18 82.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 14.3 m-20 -65.68 -42.9 90.73 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.368 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.506 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 7.3 tt0 74.88 51.2 0.08 Allowed 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.891 0.745 . . . . 0.0 112.344 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -109.06 9.91 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.53 26.22 30.75 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.459 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 88.6 m-85 -151.06 151.55 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.94 126.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -107.29 156.15 19.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.168 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.54 69.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.56 67.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.423 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 68.7 mt-10 -64.3 -42.13 96.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.713 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.81 -40.07 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -62.42 -43.46 98.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.999 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.93 -45.28 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.2 t -65.63 -42.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.122 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.78 -34.75 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.6 m -67.8 -40.09 83.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.295 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.3 -35.04 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.934 0.873 . . . . 0.0 109.181 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -34.32 65.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.576 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.53 16.73 33.31 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -110.67 138.24 47.32 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.414 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.6 mtmm -116.56 100.27 7.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.5 mp -98.53 147.54 24.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.828 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 120' ' ' GLU . 12.8 t -81.96 175.6 10.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.724 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.91 -41.54 91.29 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.411 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.594 ' H ' HG23 ' A' ' 117' ' ' THR . 58.1 mm-40 -66.48 -45.93 78.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.17 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.133 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.9 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.017 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -55.46 -42.91 74.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.9 ttt -65.17 -42.38 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.467 0.651 . . . . 0.0 110.113 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 5.3 mm -66.48 -44.23 90.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.562 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 126' ' ' ARG . 60.7 ttm-85 -69.71 -35.46 75.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.153 0.501 . . . . 0.0 110.092 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -69.18 -39.04 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.417 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.61 -13.16 59.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.345 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 29.7 m-20 -100.89 119.91 39.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.6 p -105.96 -18.59 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.035 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -101.3 1.01 38.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.21 9.07 1.87 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.689 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 50.3 p-10 -48.11 -23.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.729 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 90.0 -0.47 79.09 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -131.64 147.57 52.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -100.4 118.38 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.641 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.6 OUTLIER -82.8 158.61 22.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.402 ' OH ' ' OE2' ' A' ' 82' ' ' GLU . 51.3 t80 -51.51 -52.15 49.19 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.093 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.641 ' CG ' HD22 ' A' ' 137' ' ' ASN . 15.5 pt-20 -53.86 -42.69 68.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.917 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 36.6 tt0 -64.41 -39.55 94.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.124 0.488 . . . . 0.0 109.835 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.85 -42.28 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.186 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 146' ' ' MET . 55.0 t -59.8 -42.91 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.173 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.71 -45.87 92.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 81.7 t -68.86 -43.5 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.784 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.215 0.531 . . . . 0.0 111.163 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 10.5 tpp -65.52 -43.05 91.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.549 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.53 -61.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.578 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 52.0 tttp . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.429 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 81' ' ' SER . 46.5 t0 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 5.5 t -59.15 -49.73 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.181 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.37 -48.69 71.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -60.72 -39.41 88.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 0.0 109.989 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.79 -47.38 75.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.027 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.07 -45.65 64.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -64.04 -33.27 75.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.5 mm-40 -65.04 -42.78 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.235 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 100' ' ' ILE . 77.4 t80 -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.487 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -60.99 -33.87 73.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.128 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.5 t -64.61 -46.0 93.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.55 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -62.05 -41.47 98.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.757 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -87.21 84.27 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.752 ' HZ2' ' CE1' ' A' ' 107' ' ' HIS . 56.5 mtpt -58.74 -44.45 90.51 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.18 -40.27 90.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.646 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 71.43 49.53 0.3 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.702 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -103.03 4.75 37.62 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.151 0.5 . . . . 0.0 109.914 179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.8 68.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.495 ' CZ ' ' ND2' ' A' ' 137' ' ' ASN . 18.4 m-85 -127.43 128.92 46.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 89' ' ' PHE . 72.1 mt -82.35 130.56 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 m -97.55 149.27 22.38 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.244 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.13 71.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.31 -48.03 83.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.579 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 108' ' ' VAL . 85.1 mt-10 -67.24 -40.46 86.32 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.721 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.77 -37.45 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.853 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -65.05 -43.77 91.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.808 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.752 ' CE1' ' HZ2' ' A' ' 94' ' ' LYS . 36.2 t-80 -66.72 -42.12 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.5 t -62.62 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.261 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.23 -28.89 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.035 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.9 m -72.05 -42.4 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.426 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -65.37 -39.52 92.41 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.896 0.855 . . . . 0.0 109.188 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -46.91 -22.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.63 -1.623 . . . . 0.0 110.845 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.19 17.38 55.85 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -109.24 141.88 40.89 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 91.77 3.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.136 0.494 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.0 mp -92.45 150.52 20.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.357 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -86.32 169.78 12.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.667 178.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -62.84 -37.6 87.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.003 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.9 -43.93 91.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.509 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 117' ' ' THR . 63.8 mm-40 -65.61 -45.35 83.47 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.42 -49.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.218 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.37 -46.48 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -57.31 -43.04 82.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.79 0.328 . . . . 0.0 110.902 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.4 ttt -64.81 -42.46 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.035 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.9 mm -68.19 -44.16 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.416 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -68.84 -35.38 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.299 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -72.53 -46.46 54.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.273 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 44.8 m-20 -95.86 124.69 39.98 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.129 0.49 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 m -133.78 -20.14 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.596 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.78 -15.97 58.71 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 72.48 1.07 Allowed Glycine 0 CA--C 1.531 1.033 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.562 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 58.5 m-20 -128.27 -31.35 2.32 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.718 0.294 . . . . 0.0 111.204 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.5 2.03 65.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 7.1 mp0 -142.27 157.91 44.3 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -97.95 111.73 28.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 99' ' ' PHE . 24.7 t-20 -78.38 161.33 27.24 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.9 t80 -53.0 -47.34 68.34 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.881 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.7 pt-20 -57.05 -42.47 80.59 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.74 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.447 ' O ' HG12 ' A' ' 144' ' ' VAL . 33.4 tt0 -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 145' ' ' MET . 45.9 t80 -58.3 -42.38 86.52 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 122.328 1.061 . . . . 0.0 109.109 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 138' ' ' TYR . 93.8 t -61.94 -41.98 92.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.039 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -64.82 -49.18 71.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.285 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.666 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -74.6 -51.1 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.666 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -57.79 -46.18 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 110.493 -178.376 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.3 tpp -66.12 -40.73 90.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -94.3 -118.15 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.316 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 147' ' ' ALA . 68.5 mttm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m -53.22 -44.03 67.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.248 0.547 . . . . 0.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 14.5 tm-20 -61.72 -34.92 76.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.738 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.51 -40.48 96.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.397 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.79 -36.92 83.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.852 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.95 -44.68 94.25 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.753 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -65.19 -31.34 72.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.2 mt-10 -63.96 -44.99 91.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.68 90.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.135 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.11 -46.04 90.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.291 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -60.94 -33.87 73.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.5 t -67.44 -45.28 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.144 178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -63.44 -41.18 98.66 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.202 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -88.59 81.24 7.14 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.607 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -64.78 -45.96 84.13 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 34.9 m-20 -60.93 -20.85 62.78 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.048 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 61.86 28.79 17.62 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.649 0.593 . . . . 0.0 112.025 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -79.58 -3.58 47.64 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.02 -0.75 76.5 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.64 138.26 40.95 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -82.79 126.42 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 t -102.89 151.15 22.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.504 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.86 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.39 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.804 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.8 mt-10 -66.95 -42.5 85.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.79 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 125' ' ' ILE . 5.0 tp -62.13 -39.04 91.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.827 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt180 -67.93 -44.18 77.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.824 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.513 ' CD2' HD22 ' A' ' 111' ' ' ASN . 82.7 t60 -67.37 -44.89 77.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.1 t -62.87 -44.54 99.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.092 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.615 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.55 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 76.6 m -73.8 -43.03 60.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.23 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.513 HD22 ' CD2' ' A' ' 107' ' ' HIS . 72.6 m-20 -64.65 -40.28 95.17 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.986 0.898 . . . . 0.0 108.983 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.28 -20.29 1.02 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.865 -1.516 . . . . 0.0 111.068 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.36 18.63 48.58 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 108.284 -1.926 . . . . 0.0 108.284 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -114.34 141.83 47.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.759 -1.22 . . . . 0.0 108.182 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 116' ' ' LEU . 64.4 tttp -129.0 105.71 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.062 0.458 . . . . 0.0 111.089 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -104.91 155.78 18.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.908 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.3 p -80.39 171.03 15.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.798 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.03 -40.55 98.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.816 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.98 -43.51 87.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.171 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.09 -43.09 99.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.52 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.014 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.52 -48.98 75.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.88 -46.2 78.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.48 -42.39 98.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.441 0.639 . . . . 0.0 110.173 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.542 HD11 HD22 ' A' ' 105' ' ' LEU . 9.9 mm -68.05 -45.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.154 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -65.97 -36.37 83.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.24 0.543 . . . . 0.0 110.161 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -68.97 -33.96 74.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -85.44 -15.94 41.33 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.885 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 7.7 m-20 -96.97 120.52 37.46 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -14.35 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.185 -0.947 . . . . 0.0 109.528 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 133' ' ' ASP . 45.3 p-10 -101.67 -2.56 30.04 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 54.53 11.14 2.47 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.426 -1.369 . . . . 0.0 109.84 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' A' ' 131' ' ' ASP . 48.6 p-10 -43.58 -25.36 0.16 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.52 -0.63 59.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 2.0 pt20 -146.42 163.25 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 136' ' ' ILE . 1.5 mp -100.92 116.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 56.5 t-20 -78.61 160.1 27.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 53.2 t80 -53.12 -50.9 63.54 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.776 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.78 -42.58 68.43 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 39.1 tt0 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 37.8 t80 -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.84 -41.73 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.725 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.3 -49.52 75.3 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.008 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -72.81 -45.36 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.43 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.563 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.4 ttm -62.94 -49.02 76.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.981 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.6 tpp -65.2 -47.08 78.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.632 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 144' ' ' VAL . . . -127.6 146.52 50.51 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.12 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.2 tptm . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.383 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 81' ' ' SER . 51.5 p30 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.464 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 62.3 m -58.39 -47.22 84.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.997 0.427 . . . . 0.0 110.044 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -56.4 -43.42 79.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.147 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.13 -39.25 89.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.962 0.41 . . . . 0.0 109.992 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.99 -40.54 96.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.368 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 142' ' ' VAL . 58.4 tp -59.79 -45.23 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.56 -34.16 76.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.704 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.65 -44.32 96.55 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.056 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.39 -40.75 87.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -65.4 -34.44 78.31 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.15 -45.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 109.585 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -62.15 -40.69 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.706 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.32 87.36 6.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -57.69 -47.18 83.07 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 87.3 m-20 -66.86 -37.55 84.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.111 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 73.31 49.06 0.15 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.558 178.725 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -112.33 7.32 19.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.418 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.61 27.21 27.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.459 -1.057 . . . . 0.0 110.459 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 86.4 m-85 -150.68 149.45 29.84 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.24 128.87 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 p -107.73 153.97 22.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.079 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.54 70.86 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -54.44 -51.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.525 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 mt-10 -65.48 -41.31 93.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.812 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.27 -37.54 85.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.89 -43.25 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.896 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 55.5 m80 -66.31 -43.93 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.2 t -63.78 -43.29 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.5 mmt -67.93 -30.7 70.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.1 m -68.21 -44.2 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.02 -38.29 90.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.858 0.837 . . . . 0.0 109.151 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.85 -29.36 40.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.667 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.06 36.16 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 107.738 -2.145 . . . . 0.0 107.738 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -110.25 137.37 48.07 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD12 ' A' ' 116' ' ' LEU . 19.8 pttm -121.97 101.4 7.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.55 0.69 . . . . 0.0 111.495 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.716 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.1 mp -100.29 151.17 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.114 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.4 p -80.53 170.9 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.737 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.63 -38.33 90.69 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.02 -43.31 83.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.202 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.51 -43.75 96.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.2 -46.92 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.8 -49.43 68.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.346 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.09 -42.66 86.11 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.711 0.291 . . . . 0.0 110.821 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.1 ttp -64.64 -42.58 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.521 0.676 . . . . 0.0 110.019 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -69.2 -44.51 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.31 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.82 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.0 109.926 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -72.77 -39.37 66.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -76.76 -18.2 58.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.134 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -97.1 118.88 34.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 130' ' ' VAL 0.275 53.4 t -111.92 -25.59 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.659 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -90.7 -5.82 55.27 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -177.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.94 6.49 45.23 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.644 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.17 -30.19 16.07 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.437 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 2.43 68.02 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -137.74 154.05 49.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 11.9 mm -98.52 114.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.777 ' ND2' ' H ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.83 162.11 21.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG23 ' A' ' 142' ' ' VAL . 64.8 t80 -51.29 -46.9 62.63 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.913 -177.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.42 ' CG ' ' OD1' ' A' ' 137' ' ' ASN . 15.3 pt-20 -60.67 -44.88 95.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.75 -42.36 95.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.522 . . . . 0.0 109.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.2 -43.52 95.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.218 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.2 t -60.21 -43.07 92.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.168 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -59.71 -46.7 88.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.429 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.7 t -67.82 -43.47 86.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.854 0.359 . . . . 0.0 111.634 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.9 tpp -73.83 -42.76 60.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 11.9 ttt -63.45 -39.15 93.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.285 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.28 -155.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.408 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.65 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.998 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.48 -42.26 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.135 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.85 -44.18 90.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.94 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.85 -44.46 86.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.04 -33.05 74.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.8 mt-10 -65.28 -43.8 90.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.61 99.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.25 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.93 -44.81 94.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.229 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -62.74 -32.57 73.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.776 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.4 t -67.63 -44.38 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 109.932 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -64.14 -39.02 93.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.622 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -83.35 89.98 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.0 -47.54 79.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.065 0.46 . . . . 0.0 110.087 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 17.3 m-20 -68.36 -23.86 64.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.746 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 62.19 39.56 12.57 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.453 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.32 6.45 46.81 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.6 -1.313 . . . . 0.0 109.572 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.07 74.51 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.04 155.68 48.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.299 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -112.15 128.11 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -107.98 156.11 19.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.379 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -41.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.06 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.443 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.0 mt-10 -64.73 -42.86 94.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.559 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.86 -41.56 97.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.134 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -64.3 -43.34 95.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.206 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.24 -46.28 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -64.73 -41.35 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.053 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.5 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 8.3 mmt -65.14 -35.23 80.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.646 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.0 m -64.14 -42.34 96.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.35 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -61.58 -36.41 80.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.844 0.83 . . . . 0.0 109.131 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -41.52 83.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.26 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.81 15.9 17.16 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 94.5 mt-10 -97.52 134.77 40.31 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -119.59 91.67 3.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.95 0.405 . . . . 0.0 111.414 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -97.21 165.02 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.558 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -95.13 170.79 9.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.576 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 22.4 p-10 -64.28 -39.7 94.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.815 0.34 . . . . 0.0 110.205 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.83 -42.23 98.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.243 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.632 ' H ' HG23 ' A' ' 117' ' ' THR . 66.1 mm-40 -67.2 -43.37 82.28 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 116' ' ' LEU . 49.7 t -59.63 -48.95 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.277 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.88 -49.26 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.122 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -55.1 -42.26 72.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.833 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 18.7 ttt -66.73 -42.69 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.413 0.625 . . . . 0.0 110.44 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 15.3 mm -67.06 -44.62 88.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.66 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -70.04 -34.49 73.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.165 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.82 -39.8 72.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -78.76 -16.43 57.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.106 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 35.3 m-20 -98.01 122.46 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.39 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.83 -12.81 4.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -81.64 -14.18 57.0 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.22 73.12 0.79 Allowed Glycine 0 CA--C 1.532 1.126 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 52.3 p-10 -135.08 -24.12 1.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.49 0.186 . . . . 0.0 111.375 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.21 7.67 84.77 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.461 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 28.9 mt-30 -134.4 153.87 51.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.9 mm -103.34 115.38 45.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.613 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -82.27 160.66 22.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 142' ' ' VAL . 63.4 t80 -52.33 -53.47 43.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.88 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.613 ' CG ' HD22 ' A' ' 137' ' ' ASN . 16.4 pt-20 -53.66 -41.61 66.99 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.758 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 38.3 tt0 -68.16 -38.69 82.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.55 -37.81 82.46 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.9 t -67.29 -41.88 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.256 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.09 -46.48 87.16 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.863 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -74.29 -42.92 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.474 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.539 ' N ' HG13 ' A' ' 144' ' ' VAL . 39.0 tpp -66.26 -43.93 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.171 0.51 . . . . 0.0 110.857 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.95 -41.65 90.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.718 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -93.63 -123.45 0.09 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.45 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 147' ' ' ALA . 53.3 mtmt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.485 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -54.25 -45.17 72.31 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.147 0.498 . . . . 0.0 110.11 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.65 -35.41 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.76 -40.58 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.103 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.59 -40.0 88.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.165 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.74 -43.71 97.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -65.13 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.716 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.8 -44.42 89.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.38 90.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.04 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.89 -44.81 96.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.255 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -61.23 -34.78 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.423 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.2 -44.58 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.307 0.575 . . . . 0.0 109.674 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' A' ' 108' ' ' VAL . 33.0 m-85 -62.22 -41.07 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.051 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 20.9 t0 -86.01 84.59 7.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -62.97 -49.07 76.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.211 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.464 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 11.1 m-20 -65.54 -34.66 78.78 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER 64.28 51.02 2.2 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.389 1.055 . . . . 0.0 112.413 177.159 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -97.07 8.34 44.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.701 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.9 -6.73 73.37 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 1.5 m-85 -129.02 170.03 13.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.1 mt -118.06 125.54 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 p -104.45 153.2 21.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.929 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.44 -38.34 58.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -55.49 -52.41 63.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.292 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -64.13 -43.58 94.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 HD11 ' A' ' 125' ' ' ILE . 3.7 tt -63.92 -34.78 78.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.08 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 102' ' ' ALA . 59.0 ttp180 -67.55 -44.01 79.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.913 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.3 m80 -66.84 -41.79 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.956 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 104' ' ' GLU . 91.5 t -65.26 -44.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.43 -28.47 69.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.59 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -73.39 -42.15 62.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.36 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.0 -39.34 91.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.783 0.802 . . . . 0.0 109.193 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.68 27.25 8.57 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -133.29 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -89.3 140.29 29.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.726 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.852 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.39 -174.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.634 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -84.01 166.81 17.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -62.81 -35.43 79.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.48 -34.61 63.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.852 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.35 -46.74 72.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -50.52 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.656 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.11 -46.97 84.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -43.06 82.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.626 0.251 . . . . 0.0 110.91 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.6 ttp -64.92 -42.88 94.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.527 0.679 . . . . 0.0 110.331 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.445 HD11 HD13 ' A' ' 105' ' ' LEU . 24.6 mm -68.35 -43.9 83.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.555 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 129' ' ' ASP . 62.6 ttp180 -68.96 -34.29 75.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.151 0.5 . . . . 0.0 110.148 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -73.29 -43.81 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.226 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -74.53 -17.27 60.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.344 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 46.2 t0 -104.26 125.33 50.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 122.056 0.932 . . . . 0.0 110.637 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.547 HG22 ' OE2' ' A' ' 140' ' ' GLU . 31.3 m -124.37 -17.16 4.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.911 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 27.9 p30 -98.61 -6.99 28.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 64.19 25.88 70.02 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.491 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 33.3 p-10 -71.91 11.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 62.82 0.75 3.09 Favored Glycine 0 C--N 1.333 0.399 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.472 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 73.2 mt-30 -143.41 -174.45 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.07 127.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -81.32 156.77 25.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 64.2 t80 -50.04 -57.18 8.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 1.8 pm0 -48.71 -45.17 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.642 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.547 ' OE2' HG22 ' A' ' 130' ' ' VAL . 42.0 tt0 -64.54 -40.73 96.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.976 0.417 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.71 -42.56 97.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 58.9 t -60.24 -43.9 94.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.182 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.55 -45.14 94.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.921 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 -46.61 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 111.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.0 tpp -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.464 . . . . 0.0 111.005 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.76 -42.81 97.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.454 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.16 -62.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.485 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 81' ' ' SER . 41.1 p-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 8.5 p -61.14 -49.66 76.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -57.68 -44.28 85.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 48.5 mp0 -61.13 -39.82 91.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 109.883 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.17 -38.48 90.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.382 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.89 -44.37 97.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 109.885 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.43 -32.22 73.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 91' ' ' VAL . 69.5 mm-40 -63.97 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.335 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.96 -45.81 92.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.685 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -59.25 -33.13 70.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.123 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 87' ' ' GLU . 50.6 t -65.6 -45.64 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.614 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.99 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.697 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 40.5 t0 -81.56 88.9 6.17 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -60.0 -46.93 87.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 26.4 m-20 -71.32 -9.79 58.71 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.844 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' ASP . 1.0 OUTLIER 42.13 48.2 4.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.153 0.908 . . . . 0.0 112.301 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -105.47 4.86 31.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.991 0.424 . . . . 0.0 110.547 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.94 23.79 34.29 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 72.5 m-85 -149.49 149.14 30.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.02 127.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -112.81 157.03 21.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.979 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.83 63.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.05 -53.89 43.52 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.525 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 61.2 mt-10 -60.76 -43.63 97.76 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.21 -40.15 95.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.61 -42.99 97.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.71 -44.25 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.984 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 104' ' ' GLU . 99.2 t -66.24 -43.68 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.019 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.2 mmt -63.15 -39.3 94.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.845 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -67.24 -43.98 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.256 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -61.68 -42.05 98.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.931 0.872 . . . . 0.0 109.15 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.59 -44.41 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.8 6.89 45.7 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.87 76.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 113.966 -1.117 . . . . 0.0 108.166 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -105.74 134.71 48.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.855 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -110.42 -175.99 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.963 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -70.09 169.11 14.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.604 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.91 -40.95 99.16 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.044 0.45 . . . . 0.0 110.015 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.4 mp0 -69.26 -36.39 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -66.14 -44.91 82.81 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.15 -47.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.997 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -67.56 -51.33 51.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.32 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -55.66 -41.12 73.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.744 0.307 . . . . 0.0 110.807 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 ttp -64.38 -41.38 96.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.502 0.668 . . . . 0.0 109.981 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.27 -45.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.255 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.83 -34.59 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.165 0.507 . . . . 0.0 110.102 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.21 -34.92 77.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -81.37 -13.84 57.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.229 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -102.03 124.01 46.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.11 -18.76 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.27 -14.35 59.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 73.67 0.75 Allowed Glycine 0 CA--C 1.532 1.107 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.413 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.4 p-10 -142.54 -26.13 0.63 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.96 5.95 70.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.97 150.03 52.19 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 136' ' ' ILE . 4.7 mp -106.02 117.88 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -84.21 171.0 13.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.3 t80 -56.05 -45.85 79.12 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.935 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.9 pt-20 -57.85 -46.21 85.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.95 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 34.5 tt0 -67.02 -37.24 83.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.293 0.568 . . . . 0.0 110.018 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.87 -41.99 97.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.333 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 138' ' ' TYR . 68.5 t -60.79 -43.6 95.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.087 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -63.28 -44.49 94.91 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.912 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.671 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.8 t -68.35 -42.16 84.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.644 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 ttm -71.42 -40.06 70.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.067 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 146' ' ' MET . 2.1 tmt? -63.19 -42.66 99.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.752 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.9 -122.96 0.15 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.187 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.503 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 m -58.45 -45.46 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.35 -38.03 89.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.095 0.474 . . . . 0.0 109.824 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.27 -38.26 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.063 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.7 tp -60.91 -44.47 97.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -64.05 -33.04 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.402 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 91' ' ' VAL . 75.0 mm-40 -64.06 -44.61 91.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.94 95.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.361 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -59.63 -45.77 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.307 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -62.18 -32.69 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -67.22 -44.02 87.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.992 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.22 -38.36 90.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.096 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.03 88.49 7.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -45.88 89.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 9.3 t0 -61.84 -45.82 92.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER 77.54 47.18 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.269 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 42.1 p30 -111.27 9.07 21.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.36 21.4 44.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 77.7 m-85 -147.15 148.04 31.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.657 -0.271 . . . . 0.0 110.656 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.69 116.2 51.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -92.3 155.15 18.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.598 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.34 83.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.83 69.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.723 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 88.4 mt-10 -64.75 -40.44 95.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.746 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 125' ' ' ILE . 10.8 tp -62.55 -40.68 97.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.747 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' THR . 76.1 ttt180 -64.54 -42.08 95.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.02 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.4 m170 -65.06 -40.96 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -65.41 -40.84 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.246 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.3 mmt -64.19 -36.1 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.184 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 28.8 p -72.02 -41.85 67.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.261 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -62.97 -40.23 97.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 108.815 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.25 -26.81 66.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.32 14.36 35.88 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' MET . 66.4 mm-40 -106.51 135.26 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.092 -1.054 . . . . 0.0 108.595 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 116' ' ' LEU . 33.2 pttt -121.3 99.79 6.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 111.23 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -103.99 154.95 19.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.636 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -84.43 174.66 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.759 178.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.5 p-10 -63.02 -40.85 98.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 109.944 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.9 mt-10 -63.21 -43.46 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.172 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.636 ' H ' HG23 ' A' ' 117' ' ' THR . 65.7 mm-40 -66.35 -45.07 81.44 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.34 -48.56 87.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.232 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.2 -50.02 65.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.654 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.6 -45.03 77.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.489 0.661 . . . . 0.0 110.186 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.0 mm -67.89 -44.82 84.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 129' ' ' ASP . 90.0 mtm180 -65.17 -35.94 82.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.347 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.94 -40.15 75.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.74 -18.14 38.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.293 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 126' ' ' ARG . 68.2 t0 -96.54 121.95 38.92 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.44 -11.9 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 133' ' ' ASP . 67.5 m-20 -86.32 -6.76 58.88 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 174.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.68 -8.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.732 0 CA-C-N 113.364 -1.743 . . . . 0.0 112.853 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 131' ' ' ASP . 45.6 p-10 -41.99 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 88.79 1.42 80.2 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.42 ' C ' HD12 ' A' ' 136' ' ' ILE . 80.4 mt-30 -130.76 148.52 52.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -101.45 118.92 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.562 ' ND2' ' CG ' ' A' ' 139' ' ' GLU . 0.7 OUTLIER -84.99 160.08 20.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.165 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 58.7 t80 -52.12 -52.37 51.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.916 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CG ' ' ND2' ' A' ' 137' ' ' ASN . 21.2 pt-20 -52.16 -43.26 64.0 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.701 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.38 -39.42 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 38.8 t80 -62.09 -40.45 95.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.481 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 55.5 t -63.29 -41.72 93.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.158 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -60.41 -48.37 82.04 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -73.37 -41.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.818 0.342 . . . . 0.0 111.45 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -66.1 -43.67 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.666 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.2 ttp -67.67 -40.42 84.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -46.69 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.581 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.0 p30 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -58.19 -46.26 86.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.166 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.79 -43.27 80.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.198 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 33.6 mp0 -63.46 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.98 -39.57 93.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.393 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 142' ' ' VAL . 37.7 tp -61.12 -43.91 98.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -63.46 -32.65 74.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.527 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.6 mt-10 -65.16 -43.58 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.45 98.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.347 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.27 -45.04 94.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.335 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -61.56 -32.47 72.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -66.39 -44.43 90.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.37 0.605 . . . . 0.0 109.644 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.41 ' HA ' HG21 ' A' ' 108' ' ' VAL . 36.1 m-85 -62.81 -39.59 94.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.663 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.5 80.82 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 15.6 pttp -59.9 -43.39 94.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.368 0.604 . . . . 0.0 109.601 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 24.6 m-20 -63.41 -27.89 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.216 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 66.56 37.16 4.6 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.936 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -88.84 -3.15 58.83 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.933 0.396 . . . . 0.0 109.948 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.84 72.85 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -135.0 137.27 42.84 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -88.94 134.8 27.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.9 t -116.94 158.46 24.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.42 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.08 -40.54 70.49 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.7 58.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.676 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 63.4 mt-10 -65.67 -40.82 92.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.54 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.52 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . 55.9 ttp180 -63.76 -46.7 84.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.89 -43.41 83.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.012 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -63.96 -44.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.303 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -66.71 -27.52 67.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.614 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.0 m -73.53 -41.42 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.221 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -65.54 -39.04 91.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.996 0.903 . . . . 0.0 108.873 178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -50.99 -25.64 4.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.783 -1.553 . . . . 0.0 111.194 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.83 18.39 47.83 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 -177.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -112.89 142.31 45.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 113.73 -1.235 . . . . 0.0 107.799 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -123.33 100.11 6.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.33 0.586 . . . . 0.0 111.414 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.605 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -100.73 153.06 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.074 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -82.54 172.15 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.882 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.27 -38.47 91.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.786 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.53 -41.33 80.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.27 -44.12 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.76 -47.67 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.186 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.45 -49.1 74.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -55.64 -43.49 76.26 Favored 'General case' 0 CA--C 1.523 -0.07 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.94 -42.93 94.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.625 0.726 . . . . 0.0 110.168 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mm -68.64 -45.0 82.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -67.99 -36.24 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.096 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -70.2 -38.29 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.439 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.04 -18.23 50.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.915 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 4.6 m-20 -93.88 121.95 35.87 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.44 -13.07 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.557 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.3 m-20 -99.38 10.34 41.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 171.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.18 6.49 0.1 OUTLIER Glycine 0 C--N 1.357 1.743 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.68 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 131' ' ' ASP . 85.5 m-20 -49.87 -22.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.535 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.4 3.18 88.77 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.449 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 26.7 mt-30 -123.31 136.22 54.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.53 109.71 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -77.81 160.3 28.43 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.736 ' O ' HG23 ' A' ' 142' ' ' VAL . 61.1 t80 -48.93 -45.73 42.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.749 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.63 -41.81 99.23 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.348 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -66.56 -40.87 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.77 -38.54 88.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.931 0.872 . . . . 0.0 108.84 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 138' ' ' TYR . 79.2 t -66.83 -40.75 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.403 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -60.37 -49.25 78.32 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.586 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -71.73 -43.35 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.627 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 144' ' ' VAL . 62.1 tpp -62.71 -47.05 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.124 0.488 . . . . 0.0 110.972 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.7 mmm -63.99 -41.11 97.6 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.443 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.19 -129.42 0.12 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.634 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 81' ' ' SER . 47.2 t0 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.42 ' H ' ' CG ' ' A' ' 80' ' ' ASP . 6.3 p -58.85 -46.33 87.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.143 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -58.2 -37.64 75.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.257 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.18 -37.99 89.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.38 -40.5 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.221 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.2 tp -61.46 -43.54 98.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.223 0.535 . . . . 0.0 109.781 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -63.9 -32.28 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.61 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.5 mt-10 -64.46 -44.1 92.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.07 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.168 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.61 -45.47 91.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.22 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.79 -32.47 73.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.2 t -66.52 -43.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 109.939 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.21 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -87.81 89.11 7.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.02 -34.99 78.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.974 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 66.34 48.45 1.59 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.599 0.562 . . . . 0.0 111.775 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -109.69 6.36 23.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.192 0.52 . . . . 0.0 109.731 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.8 26.24 35.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 83.4 m-85 -153.98 126.41 8.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.567 0.222 . . . . 0.0 110.822 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.5 mt -89.85 128.54 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -106.75 157.98 17.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.519 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.516 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -58.2 -43.81 87.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.536 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.77 -50.06 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.949 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.47 -40.42 93.14 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.863 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.15 -36.16 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.747 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 110' ' ' THR . 74.8 ttt180 -65.0 -42.85 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.057 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.1 m80 -64.69 -41.6 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.99 -40.77 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.1 mmt -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.497 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 106' ' ' ARG . 21.3 p -75.55 -39.09 58.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 110.339 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.4 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.039 0.924 . . . . 0.0 108.862 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.41 -39.71 91.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.119 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.56 21.88 7.68 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -103.57 136.67 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -103.42 81.13 1.89 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.959 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.617 HD13 ' OE1' ' A' ' 120' ' ' GLU . 3.8 mm? -81.05 155.73 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.062 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -103.41 170.45 7.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.602 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -64.77 -40.07 94.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -69.43 -39.43 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.796 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.617 ' OE1' HD13 ' A' ' 116' ' ' LEU . 99.0 mt-10 -65.44 -43.29 90.9 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 41.8 t -61.43 -49.15 85.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.052 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 126' ' ' ARG . 19.7 t70 -61.98 -48.04 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.051 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.71 -42.09 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 110.702 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.3 ttt -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.901 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.12 -50.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.263 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 122' ' ' ASP . 71.9 mtt85 -64.83 -37.17 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.704 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.65 -36.46 80.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -87.29 -20.84 26.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 126' ' ' ARG . 58.9 m-20 -99.32 127.67 45.36 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.302 0.2 OUTLIER -124.67 -5.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.972 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -95.53 -1.64 50.16 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.44 14.75 50.32 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.754 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 42.0 p-10 -53.82 -29.07 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.04 2.63 80.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.43 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 42.8 mt-30 -131.84 148.17 52.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.446 HD13 ' OD1' ' A' ' 129' ' ' ASP . 9.5 mm -101.92 113.32 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.18 160.46 23.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.467 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 60.8 t80 -50.15 -59.16 4.2 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.179 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.91 -44.03 39.83 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.993 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.27 -39.91 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -61.41 -42.34 98.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 74.2 t -60.03 -43.79 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.446 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -44.55 95.92 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.081 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.496 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.3 t -69.24 -45.55 79.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.5 tpp -69.6 -41.5 75.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 110.973 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.9 ttp -63.5 -41.79 98.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.691 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.22 -1.04 47.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.443 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.232 0.147 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG3' ' HZ3' ' A' ' 86' ' ' LYS . 46.1 tp10 -57.6 -41.06 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -62.66 -38.69 91.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.34 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.064 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.987 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.625 ' HZ3' ' HG3' ' A' ' 82' ' ' GLU . 60.8 mttp -63.58 -33.38 75.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.479 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.0 mt-10 -63.83 -43.78 95.18 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.343 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.08 -45.24 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.111 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.73 -34.02 76.32 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.886 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.9 t -67.17 -44.17 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.075 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -65.18 -38.85 91.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.273 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 45.1 t0 -84.55 88.11 7.3 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.261 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 8.9 t0 -58.73 -31.08 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.55 45.96 7.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.625 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.472 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.8 p30 -111.43 7.05 20.67 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.029 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.1 23.86 33.65 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 88.7 m-85 -147.2 147.71 30.76 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.56 125.41 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.4 154.83 20.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.108 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.19 -42.48 77.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.26 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.808 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.0 mt-10 -65.27 -43.71 90.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.781 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 125' ' ' ILE . 8.1 tp -65.03 -37.71 88.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.631 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 76.9 ttt-85 -61.8 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.923 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -66.19 -41.88 89.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.1 t -62.24 -43.78 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.193 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 mmt -65.77 -34.93 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -65.09 -45.29 85.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.214 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -64.84 -39.38 93.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.682 0.754 . . . . 0.0 109.382 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.44 -23.0 0.81 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.88 12.63 60.26 Favored Glycine 0 N--CA 1.46 0.237 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -109.97 141.47 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.005 -1.097 . . . . 0.0 108.419 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -122.02 98.31 5.88 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.009 0.433 . . . . 0.0 111.304 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 9.0 mp -98.03 155.14 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.986 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 118' ' ' ASP . 63.3 m -79.87 166.59 21.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.576 ' N ' HG22 ' A' ' 117' ' ' THR . 34.3 m-20 -63.6 -40.02 95.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.002 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -65.18 -40.39 94.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.475 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -66.39 -43.78 84.89 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.05 -47.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.9 -49.68 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.6 -44.1 76.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.693 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.44 -41.71 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.513 0.673 . . . . 0.0 109.878 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 105' ' ' LEU . 10.3 mm -67.1 -46.84 83.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.456 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -67.63 -37.06 81.94 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.02 -33.26 75.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -89.97 -9.0 50.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.36 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.6 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 29.6 t0 -98.41 106.13 18.37 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 122.118 0.961 . . . . 0.0 110.029 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -36.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.368 -176.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 133' ' ' ASP . 43.7 m-20 -91.97 2.26 56.66 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 56.67 -2.12 0.09 OUTLIER Glycine 0 CA--C 1.535 1.338 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.527 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 131' ' ' ASP . 40.8 p-10 -43.87 -19.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.703 0.252 . . . . 0.0 111.655 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.6 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 92.14 -0.72 72.61 Favored Glycine 0 N--CA 1.465 0.617 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.1 mm-40 -136.95 154.83 50.34 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 56.7 mt -113.7 118.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.67 170.62 14.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 56.4 t80 -59.22 -49.7 76.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.199 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 12.6 pt-20 -50.21 -48.01 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 109.961 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 144' ' ' VAL . 38.0 tt0 -67.76 -38.17 83.1 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.452 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 14.0 t80 -60.66 -42.06 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 48.2 t -60.37 -44.66 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.686 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.47 -44.22 95.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.715 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 140' ' ' GLU . 59.5 t -69.17 -44.23 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.021 0.439 . . . . 0.0 110.979 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.452 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 30.4 mmt -66.7 -40.67 88.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.284 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.5 ttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.711 -179.721 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 CA--C 1.522 -0.097 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.74 -39.53 81.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.63 -40.07 86.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.087 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -65.09 -46.99 78.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.415 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 57.8 tp -57.46 -46.15 83.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.229 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB2' ' HZ2' ' A' ' 86' ' ' LYS . 9.4 mtmp? -63.26 -31.11 72.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.682 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.49 -42.67 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.235 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 100' ' ' ILE . 73.7 t80 -61.36 -44.95 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.035 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HG3' ' OE1' ' A' ' 96' ' ' GLN . 64.9 ttp85 -59.52 -33.05 70.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.242 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.59 -45.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.237 0.541 . . . . 0.0 109.541 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.23 -41.49 99.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.613 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.55 86.66 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.076 0.465 . . . . 0.0 112.069 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.65 -46.03 91.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.669 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -62.6 -45.2 93.97 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.22 50.23 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.885 0.741 . . . . 0.0 110.901 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.822 ' H ' HD22 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -105.66 7.37 32.63 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.65 63.76 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.795 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 25.4 m-85 -124.66 158.48 33.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 110.522 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' A' ' 89' ' ' PHE . 79.6 mt -118.36 127.24 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -99.78 153.23 19.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.15 -42.86 73.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.07 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.9 mt-10 -63.84 -41.41 97.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.88 -38.91 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.281 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' ALA . 56.3 ttp180 -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.658 ' CE1' HD21 ' A' ' 111' ' ' ASN . 66.2 t-80 -65.83 -41.88 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.916 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.3 t -62.86 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.067 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 7.2 mmt -63.88 -36.65 84.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.0 m -63.58 -43.92 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.083 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.658 HD21 ' CE1' ' A' ' 107' ' ' HIS . 91.6 m-20 -60.72 -35.41 76.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.824 0.821 . . . . 0.0 109.123 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.43 91.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.118 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.81 16.14 20.35 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.493 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 96.6 mt-10 -98.09 135.42 39.79 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -116.66 90.38 3.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.502 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.1 mp -94.45 153.95 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.893 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 p -82.55 169.06 16.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.745 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.26 -40.31 95.8 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.82 -40.09 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.837 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -65.55 -44.81 85.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 119.763 -0.775 . . . . 0.0 108.938 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.17 -48.38 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.089 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.84 -49.97 68.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.274 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -54.88 -44.26 73.93 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.8 -42.05 95.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.573 0.701 . . . . 0.0 110.281 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.1 mm -66.42 -45.72 88.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.003 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -67.57 -35.86 79.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.239 0.543 . . . . 0.0 109.806 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -69.07 -39.87 78.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -76.74 -20.22 56.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.528 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.35 125.25 41.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.4 m -128.84 -19.22 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.067 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.2 p-10 -77.22 -11.89 59.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 71.44 72.6 0.9 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.221 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.0 p-10 -143.15 -26.28 0.59 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.544 0.211 . . . . 0.0 111.024 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.1 6.29 86.65 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -124.36 140.78 52.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.8 mp -98.41 112.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.756 HD22 ' H ' ' A' ' 139' ' ' GLU . 3.2 t30 -81.37 164.14 22.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.6 t80 -53.92 -46.34 71.46 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.908 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.756 ' H ' HD22 ' A' ' 137' ' ' ASN . 16.5 pt-20 -56.77 -42.62 79.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.853 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 32.1 tt0 -69.02 -38.32 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 75.0 t80 -59.2 -40.05 84.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.4 t -65.54 -41.52 91.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.058 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.37 -48.36 81.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.535 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 145' ' ' MET . 35.3 m -72.31 -40.47 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 111.665 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.487 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.7 ttm -70.35 -45.85 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.3 ttm . . . . . 0 C--N 1.323 -0.581 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.577 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.32 -39.26 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 87' ' ' GLU . 83.3 tt0 -62.88 -39.32 94.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 109.955 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -64.95 -40.38 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.134 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.05 97.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.209 0.528 . . . . 0.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.75 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.448 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.05 -45.28 86.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.01 96.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.892 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.2 t80 -62.26 -45.06 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.442 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.49 ' NH2' ' OE1' ' A' ' 96' ' ' GLN . 13.3 mmm180 -61.95 -34.71 76.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.069 0.461 . . . . 0.0 110.382 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.1 t -67.53 -42.23 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.483 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.745 ' HA ' HG21 ' A' ' 108' ' ' VAL . 4.5 m-30 -61.15 -40.55 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.369 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -83.12 92.3 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.49 -47.71 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.473 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.02 -36.2 81.58 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.003 0.43 . . . . 0.0 112.121 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.49 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.67 43.77 0.23 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.591 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.76 6.0 49.53 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.712 -0.618 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 -4.85 79.8 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -127.06 159.11 35.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 89' ' ' PHE . 89.4 mt -115.12 127.08 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.22 151.42 23.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.181 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.09 52.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.57 78.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.536 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.0 mt-10 -67.23 -45.01 78.06 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.909 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 110' ' ' THR . 68.8 ttt180 -63.53 -43.06 98.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.826 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -64.24 -45.97 85.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.745 HG21 ' HA ' ' A' ' 92' ' ' PHE . 62.1 t -66.42 -40.62 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.31 -38.95 92.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.717 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.2 m -62.95 -41.11 99.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.953 0.406 . . . . 0.0 110.124 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.03 -31.38 71.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.673 0.749 . . . . 0.0 109.352 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -39.94 84.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.08 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.93 22.26 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 107.621 -2.192 . . . . 0.0 107.621 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.17 133.77 47.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.953 -1.123 . . . . 0.0 108.246 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -111.99 92.62 4.1 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 110.908 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 116' ' ' LEU . 5.7 mp -89.74 147.24 23.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.945 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 118' ' ' ASP . 65.6 m -77.03 168.04 20.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 117' ' ' THR . 33.2 t70 -62.51 -40.03 95.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.94 -37.37 84.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.28 -45.23 77.21 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.27 -49.51 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.251 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.85 -49.02 76.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 110.885 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.64 -41.45 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.772 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -65.14 -42.88 93.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.485 0.659 . . . . 0.0 110.101 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -66.2 -44.69 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.459 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 129' ' ' ASP . 2.6 mpt_? -68.56 -34.47 75.89 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -71.02 -41.8 70.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.49 -20.67 50.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 126' ' ' ARG . 46.1 t0 -100.48 125.17 46.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -11.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.59 -12.07 56.54 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.8 -1.66 21.63 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.984 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.538 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 56.1 m-20 -42.29 -26.62 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.762 -0.258 . . . . 0.0 111.087 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.32 69.7 Favored Glycine 0 N--CA 1.466 0.687 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -140.64 159.79 41.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -104.21 115.06 45.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.93 167.73 18.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 65.9 t80 -56.19 -48.47 76.3 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.674 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -54.28 -45.21 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.515 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 -36.77 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.471 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 61.5 t80 -60.35 -42.69 96.24 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 54.6 t -63.68 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.803 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.4 -48.76 79.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.78 -39.55 59.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.471 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 9.7 mmt -70.28 -45.9 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.0 ttm . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 -179.872 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.5 m . . . . . 0 CA--C 1.522 -0.098 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -57.07 -40.05 76.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.26 -37.25 86.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 109.884 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -65.73 -41.23 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.27 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.03 -44.15 97.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 0.0 109.832 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 64.9 mttm -63.83 -31.58 72.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.668 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 91' ' ' VAL . 80.1 tt0 -64.9 -44.31 89.99 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.31 98.22 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.485 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.73 -46.51 87.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.295 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.747 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -67.3 -44.36 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.262 0.553 . . . . 0.0 109.76 178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -63.72 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.341 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 27.4 t0 -98.57 80.51 2.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.886 0.374 . . . . 0.0 111.978 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 107' ' ' HIS . 60.5 pttt -60.11 -38.57 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 35.5 t0 -55.55 -23.45 26.76 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.366 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 95' ' ' ASP . 0.6 OUTLIER 61.52 31.49 18.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -98.96 -4.3 33.03 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.3 28.59 24.66 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 69.2 m-85 -152.46 132.96 13.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -91.43 123.1 43.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 p -108.19 158.05 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.2 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -57.16 -42.25 80.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.76 -51.01 71.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.88 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 108' ' ' VAL . 77.2 mt-10 -65.64 -42.26 91.67 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.497 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -65.1 -37.0 86.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.188 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.6 ttp180 -63.81 -43.09 97.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.021 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 52.7 m80 -65.59 -41.49 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.2 t -67.7 -40.63 84.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.416 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.1 mmt -66.88 -31.49 72.12 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.6 p -74.88 -38.51 61.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.385 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -65.21 -38.5 90.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 122.018 0.913 . . . . 0.0 108.882 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.51 -38.25 86.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.936 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.7 19.16 9.95 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -99.96 132.8 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 113.944 -1.128 . . . . 0.0 108.082 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' C ' HD12 ' A' ' 116' ' ' LEU . 59.8 mttp -117.92 91.78 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.045 0.45 . . . . 0.0 110.95 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.9 mp -99.29 150.54 22.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.91 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -82.7 172.98 12.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.707 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.82 -37.42 86.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.809 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -68.66 -39.8 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.097 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.89 -44.36 85.49 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.81 -49.29 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.142 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.21 -48.71 72.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.07 -44.81 79.29 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.9 ttp -63.94 -42.48 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.531 0.682 . . . . 0.0 110.223 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mm -68.15 -43.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.605 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.73 -34.85 79.14 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.796 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -70.6 -40.65 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.738 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -14.57 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.71 116.93 30.88 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.353 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.01 -22.1 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.859 0.361 . . . . 0.0 110.3 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -94.73 -1.79 52.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.28 10.21 15.03 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -44.04 -20.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 86.77 -0.95 86.85 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.427 ' C ' HD12 ' A' ' 136' ' ' ILE . 85.6 mt-30 -141.0 157.81 44.81 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -103.24 110.74 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 44.5 t30 -81.35 163.06 23.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 142' ' ' VAL . 56.1 t80 -52.36 -46.53 66.17 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.85 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.5 -43.88 84.56 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.305 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.44 -38.53 87.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.995 0.426 . . . . 0.0 109.908 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 44.7 t80 -62.18 -37.84 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.812 0.815 . . . . 0.0 109.253 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.6 t -66.59 -42.06 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.741 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.39 -47.9 82.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.742 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 145' ' ' MET . 7.1 p -73.28 -45.27 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.521 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.557 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.3 ttm -64.04 -46.34 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.232 0.148 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.29 -41.04 83.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.256 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -62.38 -40.43 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 109.884 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.93 -44.21 90.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 142' ' ' VAL . 44.5 tp -57.29 -44.41 84.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.96 -31.31 72.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.526 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.3 mt-10 -66.62 -42.42 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.499 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.0 t80 -60.68 -47.85 84.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.482 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -61.36 -33.33 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.146 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.5 t -68.55 -44.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.977 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.54 -40.76 97.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.127 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 67.1 t0 -90.66 89.41 7.51 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 0.5 OUTLIER -56.65 -41.94 78.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.909 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 22.0 m-20 -66.38 -23.91 66.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.767 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 45.53 49.21 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.078 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -99.61 1.58 43.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.682 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.1 15.28 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 89.2 m-85 -151.05 150.98 31.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.657 0.265 . . . . 0.0 110.645 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 141' ' ' PHE . 88.2 mt -115.36 129.66 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 t -116.23 154.91 29.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.064 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.27 -40.56 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -55.52 20.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.66 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.5 mt-10 -62.8 -42.1 99.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.863 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' A' ' 109' ' ' MET . 3.9 tp -62.37 -40.56 96.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.656 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' ALA . 77.6 ttt-85 -65.99 -43.65 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.068 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -67.12 -45.1 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.9 t -64.41 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.18 -35.15 80.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.889 178.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.7 m -63.21 -45.12 93.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.818 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.03 -37.52 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -41.79 97.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.176 -1.375 . . . . 0.0 110.139 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.78 57.21 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -111.0 76.15 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 113.691 -1.254 . . . . 0.0 108.48 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -104.46 139.94 38.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.068 0.461 . . . . 0.0 110.744 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -111.44 -174.71 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.673 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.1 p -74.17 168.46 19.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.573 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.53 -40.44 96.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.733 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -67.43 -36.15 80.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -68.96 -46.01 69.24 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.19 -49.43 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.964 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.33 -49.38 67.19 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.844 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -56.24 -42.13 76.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.4 ttp -64.54 -41.61 96.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.368 0.604 . . . . 0.0 110.195 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 10.5 mm -67.38 -45.88 84.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 129' ' ' ASP . 96.5 mtt180 -67.19 -33.71 75.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.27 0.557 . . . . 0.0 110.043 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.84 -34.09 73.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.273 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.53 40.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.324 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 66.5 t0 -101.59 123.82 46.23 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.65 -8.92 6.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 133' ' ' ASP . 61.1 m-20 -90.91 -2.51 57.72 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.05 -2.1 0.28 Allowed Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.764 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.6 p-10 -45.93 -24.88 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 111.168 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 93.56 2.12 65.61 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -136.12 152.65 51.06 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.3 mp -109.79 119.41 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -80.17 168.21 19.39 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.048 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 141' ' ' PHE . 71.9 t80 -52.46 -65.77 0.5 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.977 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.4 pt-20 -42.51 -45.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.046 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 74.6 tt0 -67.52 -36.83 81.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 138' ' ' TYR . 39.6 t80 -62.52 -37.04 84.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 85' ' ' LEU . 67.5 t -66.38 -41.01 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.923 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -48.73 80.48 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 145' ' ' MET . 34.4 m -73.47 -39.6 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.451 ' N ' HG23 ' A' ' 144' ' ' VAL . 49.4 tpp -69.78 -44.82 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.505 . . . . 0.0 110.681 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.058 0.456 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.27 -40.06 80.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.573 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.162 0.506 . . . . 0.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 5.9 mt-10 -65.53 -41.27 93.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.98 -43.3 95.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.899 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -63.75 -32.36 73.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.2 mt-10 -65.52 -43.05 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.3 91.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.538 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.72 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.588 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 87' ' ' GLU . 38.2 t -66.18 -46.27 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.748 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -60.09 -41.8 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.177 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 43.9 t0 -81.29 92.22 6.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.576 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.01 -46.9 81.97 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.82 -39.52 83.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.669 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 tt0 70.05 51.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.62 3.42 21.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.091 0.472 . . . . 0.0 110.118 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 93.62 29.71 9.75 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 81.6 m-85 -156.13 154.9 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.49 129.82 74.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -111.49 154.05 25.29 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.044 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.98 -41.19 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.57 67.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.488 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 47.6 mt-10 -62.5 -44.18 97.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.498 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.2 tp -63.65 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 80.3 ttt180 -65.0 -42.72 94.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.984 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -66.83 -43.75 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.21 -43.46 95.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.52 -33.9 77.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.096 0.474 . . . . 0.0 109.822 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.8 m -65.36 -45.62 83.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.901 0.858 . . . . 0.0 108.878 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -41.96 79.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.417 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.03 11.32 Favored Glycine 0 N--CA 1.459 0.183 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -99.91 137.78 37.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -117.37 88.61 2.94 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.165 0.507 . . . . 0.0 111.098 -178.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.0 mp -87.28 165.93 15.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.89 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.3 t -103.23 170.42 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.613 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 36.2 p-10 -60.61 -40.08 90.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 41.8 tt0 -64.03 -43.61 95.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.417 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 117' ' ' THR . 61.7 mm-40 -65.78 -46.91 76.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.49 -48.53 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.73 -49.94 64.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -55.28 -45.37 76.2 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.759 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -64.14 -43.29 95.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.401 0.62 . . . . 0.0 110.225 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -67.73 -45.63 84.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.219 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.44 -35.23 79.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 110.205 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -69.93 -38.73 76.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.517 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.534 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -80.8 -13.06 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.99 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.54 127.99 54.87 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.479 0.657 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.61 -12.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 C-N-CA 124.348 1.059 . . . . 0.0 109.568 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -94.5 -10.46 32.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.9 11.77 61.25 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 113.745 -1.571 . . . . 0.0 111.739 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 40.2 p-10 -54.59 -33.74 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 101.22 0.98 54.22 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 2.9 mp0 -143.08 160.81 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 8.7 mm -99.42 117.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 1.1 m-20 -78.18 163.68 25.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 142' ' ' VAL . 59.3 t80 -54.09 -50.7 66.22 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.228 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.3 pt-20 -57.64 -44.02 85.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.867 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 33.0 tt0 -64.47 -35.28 80.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.579 . . . . 0.0 109.773 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 15.2 t80 -63.92 -40.86 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.406 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.1 t -60.88 -43.72 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.89 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.35 -46.18 91.32 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.338 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.534 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.8 t -69.48 -44.2 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 31.1 mmt -65.43 -42.66 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.581 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.8 mmm . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.565 -179.816 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.21 -42.66 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 56.0 mp0 -63.39 -38.91 92.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -64.93 -40.54 95.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.323 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.45 -43.82 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.188 0.518 . . . . 0.0 110.039 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.8 mttm -63.68 -32.11 73.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.6 mm-40 -65.18 -43.47 91.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.59 97.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.382 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.43 -45.55 93.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.382 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 65.7 ttp85 -61.81 -33.63 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.48 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 87' ' ' GLU . 53.0 t -66.85 -45.6 87.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.337 0.589 . . . . 0.0 109.861 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.7 -40.31 96.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.362 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.526 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 44.1 t0 -83.23 88.89 6.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -177.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -62.41 -47.79 82.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 50.5 m-20 -62.88 -19.01 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.313 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 42.0 mm-40 53.1 42.03 32.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -103.19 6.76 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.136 0.88 . . . . 0.0 110.109 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.78 27.2 32.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 78.3 m-85 -150.97 151.21 31.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.535 -0.332 . . . . 0.0 110.347 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -113.73 127.65 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.7 t -112.26 156.6 22.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.986 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.14 67.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.08 40.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.632 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.5 mt-10 -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.633 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.513 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.3 tp -61.43 -41.07 96.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.739 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -66.25 -42.49 88.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.09 -46.03 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.448 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.0 t -64.37 -42.98 96.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.188 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -64.32 -34.79 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.3 m -65.7 -43.23 89.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 110.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.85 -37.07 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.854 0.835 . . . . 0.0 108.911 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -42.48 81.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.083 -1.417 . . . . 0.0 110.308 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.81 20.82 9.58 Favored Glycine 0 N--CA 1.46 0.256 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.82 140.04 37.61 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.2 89.74 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.5 mp -92.62 152.33 19.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.964 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.0 t -88.64 171.55 9.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.94 -40.41 97.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.083 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.03 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.427 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.643 ' H ' HG23 ' A' ' 117' ' ' THR . 60.0 mm-40 -66.51 -44.89 81.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.6 -50.25 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.209 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.46 -48.67 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -54.79 -43.92 73.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.966 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.85 -43.13 89.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.464 0.649 . . . . 0.0 110.52 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.448 HD11 HD22 ' A' ' 105' ' ' LEU . 21.1 mm -66.44 -44.59 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.606 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -68.95 -34.17 74.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.187 0.518 . . . . 0.0 110.113 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -70.29 -39.68 74.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.21 -11.98 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 31.6 m-20 -97.63 115.4 27.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.867 0.365 . . . . 0.0 111.071 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 130' ' ' VAL . 40.0 t -105.58 -26.01 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.922 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.282 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.0 m-20 -90.14 -3.68 57.75 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 61.92 -5.89 0.31 Allowed Glycine 0 CA--C 1.533 1.177 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 131' ' ' ASP . 47.5 p-10 -43.2 -23.82 0.06 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.837 0.351 . . . . 0.0 110.685 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 132' ' ' GLY . . . 92.34 3.15 67.43 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.39 155.2 49.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.1 mp -108.61 115.9 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 20.9 t-20 -81.06 167.94 19.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.504 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 68.2 t80 -54.37 -61.9 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.252 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -40.3 -46.09 2.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.171 0.51 . . . . 0.0 111.174 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.8 tt0 -69.18 -39.33 78.76 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.934 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 138' ' ' TYR . 23.9 t80 -59.87 -26.12 65.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.139 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.2 -39.77 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.392 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.53 -46.67 88.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.058 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -74.93 -43.75 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.712 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 23.9 mmt -61.29 -45.29 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.463 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 97.7 mmm . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.85 179.58 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.96 0.41 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.86 -40.97 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.282 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.05 -39.06 93.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 109.833 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.63 -40.67 95.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.523 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.089 0.471 . . . . 0.0 110.085 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -63.27 -33.05 74.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.0 mm-40 -65.15 -42.37 93.84 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.59 97.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.348 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.62 -45.7 91.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -63.27 -34.36 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.2 t -66.51 -45.65 88.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.697 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -62.65 -40.97 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.286 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 46.2 t0 -86.85 83.83 7.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.034 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.631 ' NZ ' ' CG ' ' A' ' 107' ' ' HIS . 97.4 mttt -61.13 -42.68 98.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.645 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.51 -19.51 64.83 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.316 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 52.82 39.52 29.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.133 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.65 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -101.65 6.88 42.18 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 178.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 85.64 28.84 28.37 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 91.5 m-85 -151.52 151.91 32.24 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.39 127.28 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.0 p -108.03 153.95 22.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.583 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -53.21 -40.17 64.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.65 -51.07 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.708 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.0 mt-10 -65.95 -43.11 88.94 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.706 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.9 tp -63.25 -40.89 98.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.298 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 60.7 ttp180 -62.64 -43.44 98.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.631 ' CG ' ' NZ ' ' A' ' 94' ' ' LYS . 2.5 t-80 -67.52 -42.96 81.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.113 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.4 t -62.65 -44.12 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.074 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -69.41 -43.86 72.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.392 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.19 -40.0 94.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.939 0.876 . . . . 0.0 109.25 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 -39.34 91.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.99 13.79 9.82 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 109' ' ' MET . 73.9 mm-40 -103.49 126.63 50.76 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 113.973 -1.114 . . . . 0.0 108.18 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.1 ttpt -119.63 101.3 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.973 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.0 mp -96.99 151.26 19.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.059 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.622 HG22 ' N ' ' A' ' 118' ' ' ASP . 77.2 m -76.41 168.03 20.79 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.767 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.622 ' N ' HG22 ' A' ' 117' ' ' THR . 66.9 t0 -63.39 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.86 -40.21 87.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.974 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -66.37 -44.04 84.25 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.583 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 44.0 t -61.01 -49.38 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.267 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -63.29 -47.28 82.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.26 -41.41 79.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.79 0.329 . . . . 0.0 110.726 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.9 ttp -63.49 -41.63 98.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.639 . . . . 0.0 110.114 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.27 -46.81 83.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.478 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.123 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -70.8 -42.55 70.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.613 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -74.22 -21.25 59.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.4 t0 -91.91 118.96 31.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.453 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -121.72 -22.89 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.922 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.7 p30 -83.87 -11.01 57.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 68.38 74.83 0.56 Allowed Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.417 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 30.7 p-10 -128.7 -27.62 2.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.626 0.251 . . . . 0.0 111.229 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.8 4.01 73.18 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.48 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 57.5 mt-30 -135.91 152.73 51.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.1 mm -104.21 112.87 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.1 OUTLIER -80.54 168.03 19.4 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 142' ' ' VAL . 47.9 t80 -56.11 -49.38 74.04 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.871 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.44 -48.19 77.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 37.3 tt0 -64.25 -36.82 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 36.8 t80 -63.14 -44.3 95.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.02 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 138' ' ' TYR . 43.1 t -58.36 -45.41 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.566 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -43.8 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.866 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.629 HG21 ' HB1' ' A' ' 128' ' ' ALA . 74.2 t -68.72 -43.86 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -76.78 -39.57 51.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -178.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 45.9 ttp . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.05 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.234 0.54 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -54.61 -47.6 73.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.169 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -59.83 -38.58 82.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.175 0.512 . . . . 0.0 109.738 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 16.8 tp10 -65.61 -44.46 86.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.717 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 HG22 ' A' ' 142' ' ' VAL . 42.7 tp -58.05 -45.22 87.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.705 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.75 -33.46 75.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.755 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 65.5 mm-40 -61.71 -45.33 94.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.212 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.81 -45.1 93.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.529 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 74.4 mtm180 -62.9 -32.91 74.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.644 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 48.6 t -64.87 -44.87 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.28 0.562 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.598 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -84.19 88.45 7.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.29 -46.94 85.15 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 48.2 m-20 -66.8 -40.09 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 73.76 49.39 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.78 0.675 . . . . 0.0 111.889 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.556 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.58 5.64 23.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.127 0.489 . . . . 0.0 109.959 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.523 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 88.93 24.55 32.01 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.508 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 71.6 m-85 -148.52 147.98 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.162 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.62 124.72 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -104.95 154.91 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.281 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.53 -40.64 65.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.64 -50.46 68.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.512 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.1 mt-10 -66.32 -43.04 87.29 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.66 -40.89 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.01 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.78 -43.18 94.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.88 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -65.85 -42.58 90.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.12 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 104' ' ' GLU . 86.5 t -64.69 -42.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.227 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.06 -34.34 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.93 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.5 m -67.93 -42.89 80.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.2 -38.15 76.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.919 0.866 . . . . 0.0 108.799 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -54.42 39.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.58 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.74 21.08 5.85 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 108.469 -1.853 . . . . 0.0 108.469 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.98 87.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.876 -1.162 . . . . 0.0 108.102 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.71 156.17 17.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.19 171.47 7.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.755 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.4 p -78.59 172.32 13.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.8 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.865 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.077 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.83 -44.27 86.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.011 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.1 -49.97 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.957 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -63.45 -48.59 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -55.25 -44.18 75.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.913 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -65.79 -42.98 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.47 0.652 . . . . 0.0 110.36 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 20.1 mm -66.99 -44.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 1.4 mmp_? -69.88 -34.42 73.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.552 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -72.11 -41.05 67.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.567 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -77.19 -19.23 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 19.6 m-20 -90.92 118.85 30.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.954 0.407 . . . . 0.0 111.951 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.45 -17.7 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 121.224 0.535 . . . . 0.0 110.663 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 17.1 m-20 -93.69 -5.08 49.37 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.72 0.0 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.195 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.2 p-10 -41.09 -21.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.827 0.346 . . . . 0.0 110.64 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 90.9 1.58 73.05 Favored Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -140.57 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.13 114.44 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 15.2 t-20 -82.68 164.71 20.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 142' ' ' VAL . 68.9 t80 -54.17 -46.43 72.33 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.073 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 13.6 pt-20 -54.96 -43.71 73.71 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.819 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 30.2 tt0 -69.38 -41.14 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.137 0.494 . . . . 0.0 109.979 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.93 -35.88 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.035 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 138' ' ' TYR . 97.0 t -69.92 -41.81 79.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.622 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -48.06 77.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.857 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -70.41 -41.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 144' ' ' VAL . 42.7 tpp -69.86 -41.21 75.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.6 ttt . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.707 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.77 -37.33 76.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.75 -38.97 92.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.981 0.42 . . . . 0.0 109.889 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.58 -47.46 75.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.939 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.56 -44.81 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -64.32 -31.07 72.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.608 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.2 -45.01 90.18 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.33 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.223 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -60.29 -45.25 93.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.232 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -61.87 -33.66 74.6 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.82 -43.93 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.705 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' HG21 ' A' ' 108' ' ' VAL . 38.1 m-85 -64.08 -39.64 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.413 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -86.11 85.98 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.174 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.444 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 13.3 m-20 -63.45 -33.7 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.178 0.513 . . . . 0.0 109.953 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.57 42.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.385 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.24 6.59 48.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.813 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.43 85.37 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 6.5 m-85 -131.73 134.85 46.33 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -84.84 130.85 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -107.38 153.99 21.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.373 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.52 68.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.74 79.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.543 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 67.2 mt-10 -63.49 -41.52 98.55 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.743 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.22 -38.94 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.585 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -63.73 -45.35 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -65.88 -43.04 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.118 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 93.9 t -63.74 -42.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.49 -31.36 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.869 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.3 m -67.22 -43.72 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.114 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.64 -34.58 77.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.669 0.747 . . . . 0.0 109.258 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -42.49 90.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.34 -1.3 . . . . 0.0 110.259 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.23 26.15 8.46 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -101.18 143.96 30.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.036 . . . . 0.0 108.404 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.74 81.42 1.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -87.98 166.26 14.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -107.59 172.04 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.755 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.32 -38.6 90.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.089 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.43 -42.23 92.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.171 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 117' ' ' THR . 53.5 mm-40 -66.86 -45.91 76.68 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.13 -49.0 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.974 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.42 -47.93 77.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.31 -43.46 83.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.662 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -65.86 -44.0 86.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.42 0.628 . . . . 0.0 110.24 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 125' ' ' ILE . 16.8 mm -67.55 -44.47 86.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' ASP . 60.4 ttt85 -67.04 -35.44 79.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.559 . . . . 0.0 109.996 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -71.97 -46.56 56.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.506 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -73.95 -23.25 59.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 126' ' ' ARG . 52.2 t0 -96.83 124.29 40.76 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.88 -11.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -84.46 -7.95 59.12 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.01 -0.9 3.01 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-N 112.884 -1.962 . . . . 0.0 112.501 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 43.0 p-10 -43.48 -25.6 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.565 0.221 . . . . 0.0 110.967 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.3 0.36 63.23 Favored Glycine 0 N--CA 1.467 0.74 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 0.8 OUTLIER -140.35 156.23 46.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 116.0 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' CD1' ' A' ' 99' ' ' PHE . 9.9 m120 -79.63 158.91 26.94 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 142' ' ' VAL . 58.6 t80 -51.6 -46.78 63.66 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.805 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.25 -43.16 87.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.661 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.33 -38.46 90.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.62 -44.17 97.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 138' ' ' TYR . 77.5 t -58.19 -43.11 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.351 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.29 -46.68 89.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.272 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.408 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.6 t -69.23 -46.59 77.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.693 0.282 . . . . 0.0 111.484 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 mmt -68.71 -45.02 72.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 44.7 ttm . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.299 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.927 0.394 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.402 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 8.7 tm-20 -56.88 -42.07 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.85 -38.02 89.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 109.883 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -65.22 -38.53 90.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.04 -44.11 97.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.014 0.435 . . . . 0.0 109.955 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.32 -32.65 74.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.568 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.4 mt-10 -63.82 -44.35 93.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.366 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.64 -46.83 86.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.42 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 88.6 mtm180 -64.85 -33.07 75.13 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.374 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.9 t -67.65 -45.09 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.923 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -60.5 -38.94 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.253 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 96' ' ' GLN . 49.3 t0 -84.27 95.16 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -48.18 82.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 14.3 m-20 -65.68 -42.9 90.73 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.368 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.506 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 7.3 tt0 74.88 51.2 0.08 Allowed 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.891 0.745 . . . . 0.0 112.344 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -109.06 9.91 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.53 26.22 30.75 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.459 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 88.6 m-85 -151.06 151.55 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.94 126.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -107.29 156.15 19.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.168 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.54 69.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.56 67.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.423 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 68.7 mt-10 -64.3 -42.13 96.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.713 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.81 -40.07 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -62.42 -43.46 98.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.999 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.93 -45.28 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.2 t -65.63 -42.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.122 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.78 -34.75 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.6 m -67.8 -40.09 83.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.295 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.3 -35.04 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.934 0.873 . . . . 0.0 109.181 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -34.32 65.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.576 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.53 16.73 33.31 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -110.67 138.24 47.32 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.414 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.6 mtmm -116.56 100.27 7.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.5 mp -98.53 147.54 24.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.828 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 120' ' ' GLU . 12.8 t -81.96 175.6 10.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.724 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.91 -41.54 91.29 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.411 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.594 ' H ' HG23 ' A' ' 117' ' ' THR . 58.1 mm-40 -66.48 -45.93 78.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.17 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.133 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.9 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.017 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -55.46 -42.91 74.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.9 ttt -65.17 -42.38 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.467 0.651 . . . . 0.0 110.113 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 5.3 mm -66.48 -44.23 90.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.562 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 126' ' ' ARG . 60.7 ttm-85 -69.71 -35.46 75.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.153 0.501 . . . . 0.0 110.092 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -69.18 -39.04 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.417 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.61 -13.16 59.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.345 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 29.7 m-20 -100.89 119.91 39.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.6 p -105.96 -18.59 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.035 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -101.3 1.01 38.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.21 9.07 1.87 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.689 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 50.3 p-10 -48.11 -23.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.729 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 90.0 -0.47 79.09 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -131.64 147.57 52.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -100.4 118.38 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.641 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.6 OUTLIER -82.8 158.61 22.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.402 ' OH ' ' OE2' ' A' ' 82' ' ' GLU . 51.3 t80 -51.51 -52.15 49.19 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.093 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.641 ' CG ' HD22 ' A' ' 137' ' ' ASN . 15.5 pt-20 -53.86 -42.69 68.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.917 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 36.6 tt0 -64.41 -39.55 94.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.124 0.488 . . . . 0.0 109.835 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.85 -42.28 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.186 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 146' ' ' MET . 55.0 t -59.8 -42.91 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.173 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.71 -45.87 92.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 81.7 t -68.86 -43.5 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.784 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.215 0.531 . . . . 0.0 111.163 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 10.5 tpp . . . . . 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.549 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.884 0.373 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.37 -48.69 71.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -60.72 -39.41 88.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 0.0 109.989 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.79 -47.38 75.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.027 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.07 -45.65 64.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -64.04 -33.27 75.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.5 mm-40 -65.04 -42.78 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.235 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 100' ' ' ILE . 77.4 t80 -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.487 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -60.99 -33.87 73.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.128 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.5 t -64.61 -46.0 93.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.55 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -62.05 -41.47 98.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.757 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -87.21 84.27 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.627 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 56.5 mtpt -58.74 -44.45 90.51 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.18 -40.27 90.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.646 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 71.43 49.53 0.3 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.702 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.831 ' ND2' ' H ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -103.03 4.75 37.62 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.151 0.5 . . . . 0.0 109.914 179.085 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.8 68.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.831 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 18.4 m-85 -127.43 128.92 46.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 89' ' ' PHE . 72.1 mt -82.35 130.56 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 m -97.55 149.27 22.38 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.244 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.13 71.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.31 -48.03 83.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.579 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 108' ' ' VAL . 85.1 mt-10 -67.24 -40.46 86.32 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.721 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.77 -37.45 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.853 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -65.05 -43.77 91.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.808 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.627 ' CD2' ' NZ ' ' A' ' 94' ' ' LYS . 11.1 t60 -66.72 -42.12 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.5 t -62.62 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.261 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.23 -28.89 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.035 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.9 m -72.05 -42.4 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.426 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -65.37 -39.52 92.41 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.896 0.855 . . . . 0.0 109.188 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -46.91 -22.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.63 -1.623 . . . . 0.0 110.845 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.19 17.38 55.85 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -109.24 141.88 40.89 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 91.77 3.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.136 0.494 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.0 mp -92.45 150.52 20.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.357 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -86.32 169.78 12.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.667 178.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -62.84 -37.6 87.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.003 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.9 -43.93 91.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.509 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 117' ' ' THR . 63.8 mm-40 -65.61 -45.35 83.47 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.42 -49.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.218 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.37 -46.48 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -57.31 -43.04 82.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.79 0.328 . . . . 0.0 110.902 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.4 ttt -64.81 -42.46 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.035 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.9 mm -68.19 -44.16 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.416 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -68.84 -35.38 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.299 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -72.53 -46.46 54.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.402 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.273 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 44.8 m-20 -95.86 124.69 39.98 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.129 0.49 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 m -133.78 -20.14 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.596 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.78 -15.97 58.71 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 72.48 1.07 Allowed Glycine 0 CA--C 1.531 1.033 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.562 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 58.5 m-20 -128.27 -31.35 2.32 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.718 0.294 . . . . 0.0 111.204 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.5 2.03 65.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 7.1 mp0 -142.27 157.91 44.3 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -97.95 111.73 28.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 99' ' ' PHE . 24.7 t-20 -78.38 161.33 27.24 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.9 t80 -53.0 -47.34 68.34 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.881 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.7 pt-20 -57.05 -42.47 80.59 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.74 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.447 ' O ' HG12 ' A' ' 144' ' ' VAL . 33.4 tt0 -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 145' ' ' MET . 45.9 t80 -58.3 -42.38 86.52 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 122.328 1.061 . . . . 0.0 109.109 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 138' ' ' TYR . 93.8 t -61.94 -41.98 92.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.039 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -64.82 -49.18 71.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.285 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.666 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -74.6 -51.1 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.666 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -57.79 -46.18 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 110.493 -178.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.3 tpp . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 -179.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.248 0.547 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 14.5 tm-20 -61.72 -34.92 76.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.738 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.51 -40.48 96.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.397 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.79 -36.92 83.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.852 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.95 -44.68 94.25 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.753 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -65.19 -31.34 72.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.2 mt-10 -63.96 -44.99 91.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.68 90.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.135 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.11 -46.04 90.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.291 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -60.94 -33.87 73.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.5 t -67.44 -45.28 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.144 178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -63.44 -41.18 98.66 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.202 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -88.59 81.24 7.14 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.607 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -64.78 -45.96 84.13 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 34.9 m-20 -60.93 -20.85 62.78 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.048 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 61.86 28.79 17.62 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.649 0.593 . . . . 0.0 112.025 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -79.58 -3.58 47.64 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.02 -0.75 76.5 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.64 138.26 40.95 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -82.79 126.42 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 t -102.89 151.15 22.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.504 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.86 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.39 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.804 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.8 mt-10 -66.95 -42.5 85.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.79 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 125' ' ' ILE . 5.0 tp -62.13 -39.04 91.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.827 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt180 -67.93 -44.18 77.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.824 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -67.37 -44.89 77.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.1 t -62.87 -44.54 99.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.092 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.615 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.55 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 76.6 m -73.8 -43.03 60.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.23 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.65 -40.28 95.17 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.986 0.898 . . . . 0.0 108.983 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.28 -20.29 1.02 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.865 -1.516 . . . . 0.0 111.068 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.36 18.63 48.58 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 108.284 -1.926 . . . . 0.0 108.284 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -114.34 141.83 47.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.759 -1.22 . . . . 0.0 108.182 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 116' ' ' LEU . 64.4 tttp -129.0 105.71 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.062 0.458 . . . . 0.0 111.089 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -104.91 155.78 18.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.908 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.3 p -80.39 171.03 15.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.798 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.03 -40.55 98.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.816 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.98 -43.51 87.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.171 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.09 -43.09 99.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.52 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.014 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.52 -48.98 75.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.88 -46.2 78.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.48 -42.39 98.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.441 0.639 . . . . 0.0 110.173 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.542 HD11 HD22 ' A' ' 105' ' ' LEU . 9.9 mm -68.05 -45.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.154 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -65.97 -36.37 83.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.24 0.543 . . . . 0.0 110.161 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -68.97 -33.96 74.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -85.44 -15.94 41.33 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.885 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 7.7 m-20 -96.97 120.52 37.46 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -14.35 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.185 -0.947 . . . . 0.0 109.528 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 133' ' ' ASP . 45.3 p-10 -101.67 -2.56 30.04 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 54.53 11.14 2.47 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.426 -1.369 . . . . 0.0 109.84 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' A' ' 131' ' ' ASP . 48.6 p-10 -43.58 -25.36 0.16 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.52 -0.63 59.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 2.0 pt20 -146.42 163.25 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 136' ' ' ILE . 1.5 mp -100.92 116.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 56.5 t-20 -78.61 160.1 27.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 53.2 t80 -53.12 -50.9 63.54 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.776 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.78 -42.58 68.43 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 39.1 tt0 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 37.8 t80 -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.84 -41.73 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.725 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.3 -49.52 75.3 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.008 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -72.81 -45.36 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.43 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.563 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.4 ttm -62.94 -49.02 76.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.981 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.6 tpp . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.632 -179.819 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.3 m . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.997 0.427 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -56.4 -43.42 79.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.147 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.13 -39.25 89.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.962 0.41 . . . . 0.0 109.992 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.99 -40.54 96.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.368 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 142' ' ' VAL . 58.4 tp -59.79 -45.23 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.56 -34.16 76.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.704 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.65 -44.32 96.55 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.056 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.39 -40.75 87.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.655 HH21 HE21 ' A' ' 96' ' ' GLN . 30.9 mmm-85 -65.4 -34.44 78.31 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.15 -45.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 109.585 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -62.15 -40.69 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.706 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.32 87.36 6.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -57.69 -47.18 83.07 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 87.3 m-20 -66.86 -37.55 84.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.111 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.655 HE21 HH21 ' A' ' 90' ' ' ARG . 0.6 OUTLIER 73.31 49.06 0.15 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.558 178.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -112.33 7.32 19.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.418 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.61 27.21 27.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.459 -1.057 . . . . 0.0 110.459 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 86.4 m-85 -150.68 149.45 29.84 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.24 128.87 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 p -107.73 153.97 22.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.079 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.54 70.86 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -54.44 -51.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.525 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 mt-10 -65.48 -41.31 93.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.812 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.27 -37.54 85.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.89 -43.25 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.896 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 55.5 m80 -66.31 -43.93 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.2 t -63.78 -43.29 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.5 mmt -67.93 -30.7 70.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.1 m -68.21 -44.2 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.02 -38.29 90.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.858 0.837 . . . . 0.0 109.151 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.85 -29.36 40.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.667 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.06 36.16 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 107.738 -2.145 . . . . 0.0 107.738 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -110.25 137.37 48.07 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD12 ' A' ' 116' ' ' LEU . 19.8 pttm -121.97 101.4 7.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.55 0.69 . . . . 0.0 111.495 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.716 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.1 mp -100.29 151.17 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.114 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.4 p -80.53 170.9 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.737 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.63 -38.33 90.69 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.02 -43.31 83.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.202 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.51 -43.75 96.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.2 -46.92 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.8 -49.43 68.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.346 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.09 -42.66 86.11 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.711 0.291 . . . . 0.0 110.821 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.1 ttp -64.64 -42.58 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.521 0.676 . . . . 0.0 110.019 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -69.2 -44.51 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.31 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.82 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.0 109.926 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -72.77 -39.37 66.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -76.76 -18.2 58.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.134 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -97.1 118.88 34.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 130' ' ' VAL 0.275 53.4 t -111.92 -25.59 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.659 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -90.7 -5.82 55.27 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -177.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.94 6.49 45.23 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.644 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.17 -30.19 16.07 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.437 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 2.43 68.02 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -137.74 154.05 49.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 11.9 mm -98.52 114.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.777 ' ND2' ' H ' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.83 162.11 21.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG23 ' A' ' 142' ' ' VAL . 64.8 t80 -51.29 -46.9 62.63 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.913 -177.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.42 ' CG ' ' OD1' ' A' ' 137' ' ' ASN . 15.3 pt-20 -60.67 -44.88 95.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.75 -42.36 95.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.522 . . . . 0.0 109.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.2 -43.52 95.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.218 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.2 t -60.21 -43.07 92.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.168 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -59.71 -46.7 88.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.429 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.7 t -67.82 -43.47 86.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.854 0.359 . . . . 0.0 111.634 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.9 tpp -73.83 -42.76 60.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 11.9 ttt . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.285 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m . . . . . 0 CA--C 1.522 -0.107 0 CA-C-O 120.93 0.395 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.48 -42.26 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.135 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.85 -44.18 90.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.94 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.85 -44.46 86.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.04 -33.05 74.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.8 mt-10 -65.28 -43.8 90.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.61 99.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.25 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.93 -44.81 94.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.229 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -62.74 -32.57 73.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.776 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.4 t -67.63 -44.38 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 109.932 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -64.14 -39.02 93.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.622 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -83.35 89.98 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.0 -47.54 79.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.065 0.46 . . . . 0.0 110.087 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 17.3 m-20 -68.36 -23.86 64.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.746 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 62.19 39.56 12.57 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.453 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.32 6.45 46.81 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.6 -1.313 . . . . 0.0 109.572 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.07 74.51 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.04 155.68 48.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.299 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -112.15 128.11 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -107.98 156.11 19.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.379 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -41.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.06 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.443 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.0 mt-10 -64.73 -42.86 94.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.559 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.86 -41.56 97.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.134 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -64.3 -43.34 95.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.206 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.642 ' CE1' HD21 ' A' ' 111' ' ' ASN . 58.6 t-80 -66.24 -46.28 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -64.73 -41.35 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.053 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.5 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 8.3 mmt -65.14 -35.23 80.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.646 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.0 m -64.14 -42.34 96.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.35 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.642 HD21 ' CE1' ' A' ' 107' ' ' HIS . 62.0 m-80 -61.58 -36.41 80.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.844 0.83 . . . . 0.0 109.131 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -41.52 83.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.26 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.81 15.9 17.16 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 94.5 mt-10 -97.52 134.77 40.31 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -119.59 91.67 3.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.95 0.405 . . . . 0.0 111.414 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -97.21 165.02 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.558 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -95.13 170.79 9.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.576 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 22.4 p-10 -64.28 -39.7 94.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.815 0.34 . . . . 0.0 110.205 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.83 -42.23 98.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.243 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.632 ' H ' HG23 ' A' ' 117' ' ' THR . 66.1 mm-40 -67.2 -43.37 82.28 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 116' ' ' LEU . 49.7 t -59.63 -48.95 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.277 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.88 -49.26 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.122 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -55.1 -42.26 72.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.833 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 18.7 ttt -66.73 -42.69 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.413 0.625 . . . . 0.0 110.44 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 15.3 mm -67.06 -44.62 88.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.66 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -70.04 -34.49 73.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.165 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.82 -39.8 72.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -78.76 -16.43 57.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.106 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 35.3 m-20 -98.01 122.46 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.39 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.83 -12.81 4.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -81.64 -14.18 57.0 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.22 73.12 0.79 Allowed Glycine 0 CA--C 1.532 1.126 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 52.3 p-10 -135.08 -24.12 1.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.49 0.186 . . . . 0.0 111.375 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.21 7.67 84.77 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.461 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 28.9 mt-30 -134.4 153.87 51.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.9 mm -103.34 115.38 45.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.613 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -82.27 160.66 22.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 142' ' ' VAL . 63.4 t80 -52.33 -53.47 43.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.88 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.613 ' CG ' HD22 ' A' ' 137' ' ' ASN . 16.4 pt-20 -53.66 -41.61 66.99 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.758 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 38.3 tt0 -68.16 -38.69 82.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.55 -37.81 82.46 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.9 t -67.29 -41.88 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.256 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.09 -46.48 87.16 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.863 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -74.29 -42.92 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.474 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.539 ' N ' HG13 ' A' ' 144' ' ' VAL . 39.0 tpp -66.26 -43.93 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.171 0.51 . . . . 0.0 110.857 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.718 179.464 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.235 0.316 0 CA-C-O 121.147 0.498 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.65 -35.41 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.76 -40.58 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.103 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.59 -40.0 88.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.165 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.74 -43.71 97.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -65.13 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.716 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.8 -44.42 89.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.38 90.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.04 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.89 -44.81 96.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.255 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -61.23 -34.78 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.423 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.2 -44.58 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.307 0.575 . . . . 0.0 109.674 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' A' ' 108' ' ' VAL . 33.0 m-85 -62.22 -41.07 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.051 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 20.9 t0 -86.01 84.59 7.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -62.97 -49.07 76.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.211 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.464 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 11.1 m-20 -65.54 -34.66 78.78 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER 64.28 51.02 2.2 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.389 1.055 . . . . 0.0 112.413 177.159 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -97.07 8.34 44.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.701 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.9 -6.73 73.37 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 1.5 m-85 -129.02 170.03 13.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.1 mt -118.06 125.54 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 p -104.45 153.2 21.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.929 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.44 -38.34 58.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -55.49 -52.41 63.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.292 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -64.13 -43.58 94.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 HD11 ' A' ' 125' ' ' ILE . 3.7 tt -63.92 -34.78 78.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.08 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 102' ' ' ALA . 59.0 ttp180 -67.55 -44.01 79.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.913 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.3 m80 -66.84 -41.79 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.956 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 104' ' ' GLU . 91.5 t -65.26 -44.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.43 -28.47 69.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.59 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -73.39 -42.15 62.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.36 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.0 -39.34 91.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.783 0.802 . . . . 0.0 109.193 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.68 27.25 8.57 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -133.29 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -89.3 140.29 29.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.726 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.852 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.39 -174.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.634 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -84.01 166.81 17.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -62.81 -35.43 79.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.48 -34.61 63.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.852 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.35 -46.74 72.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -50.52 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.656 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.11 -46.97 84.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -43.06 82.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.626 0.251 . . . . 0.0 110.91 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.6 ttp -64.92 -42.88 94.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.527 0.679 . . . . 0.0 110.331 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.445 HD11 HD13 ' A' ' 105' ' ' LEU . 24.6 mm -68.35 -43.9 83.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.555 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 129' ' ' ASP . 62.6 ttp180 -68.96 -34.29 75.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.151 0.5 . . . . 0.0 110.148 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -73.29 -43.81 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.226 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -74.53 -17.27 60.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.344 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 46.2 t0 -104.26 125.33 50.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 122.056 0.932 . . . . 0.0 110.637 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.547 HG22 ' OE2' ' A' ' 140' ' ' GLU . 31.3 m -124.37 -17.16 4.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.911 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 27.9 p30 -98.61 -6.99 28.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 64.19 25.88 70.02 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.491 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 33.3 p-10 -71.91 11.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 62.82 0.75 3.09 Favored Glycine 0 C--N 1.333 0.399 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.472 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 73.2 mt-30 -143.41 -174.45 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.07 127.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -81.32 156.77 25.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 64.2 t80 -50.04 -57.18 8.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 1.8 pm0 -48.71 -45.17 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.642 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.547 ' OE2' HG22 ' A' ' 130' ' ' VAL . 42.0 tt0 -64.54 -40.73 96.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.976 0.417 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.71 -42.56 97.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 58.9 t -60.24 -43.9 94.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.182 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.55 -45.14 94.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.921 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 -46.61 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 111.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.0 tpp -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.464 . . . . 0.0 111.005 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.454 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -57.68 -44.28 85.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 48.5 mp0 -61.13 -39.82 91.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 109.883 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.17 -38.48 90.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.382 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.89 -44.37 97.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 109.885 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.43 -32.22 73.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 91' ' ' VAL . 69.5 mm-40 -63.97 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.335 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.96 -45.81 92.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.685 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -59.25 -33.13 70.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.123 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 87' ' ' GLU . 50.6 t -65.6 -45.64 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.614 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.99 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.697 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 40.5 t0 -81.56 88.9 6.17 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -60.0 -46.93 87.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 26.4 m-20 -71.32 -9.79 58.71 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.844 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' ASP . 1.0 OUTLIER 42.13 48.2 4.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.153 0.908 . . . . 0.0 112.301 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -105.47 4.86 31.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.991 0.424 . . . . 0.0 110.547 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.94 23.79 34.29 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 72.5 m-85 -149.49 149.14 30.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.02 127.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -112.81 157.03 21.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.979 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.83 63.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.05 -53.89 43.52 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.525 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 61.2 mt-10 -60.76 -43.63 97.76 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.21 -40.15 95.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.61 -42.99 97.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.71 -44.25 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.984 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 104' ' ' GLU . 99.2 t -66.24 -43.68 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.019 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.2 mmt -63.15 -39.3 94.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.845 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -67.24 -43.98 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.256 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -61.68 -42.05 98.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.931 0.872 . . . . 0.0 109.15 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.59 -44.41 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.8 6.89 45.7 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.87 76.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 113.966 -1.117 . . . . 0.0 108.166 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -105.74 134.71 48.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.855 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -110.42 -175.99 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.963 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -70.09 169.11 14.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.604 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.91 -40.95 99.16 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.044 0.45 . . . . 0.0 110.015 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.4 mp0 -69.26 -36.39 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -66.14 -44.91 82.81 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.15 -47.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.997 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -67.56 -51.33 51.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.32 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -55.66 -41.12 73.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.744 0.307 . . . . 0.0 110.807 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 ttp -64.38 -41.38 96.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.502 0.668 . . . . 0.0 109.981 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.27 -45.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.255 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.83 -34.59 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.165 0.507 . . . . 0.0 110.102 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.21 -34.92 77.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -81.37 -13.84 57.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.229 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -102.03 124.01 46.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.11 -18.76 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.27 -14.35 59.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 73.67 0.75 Allowed Glycine 0 CA--C 1.532 1.107 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.413 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.4 p-10 -142.54 -26.13 0.63 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.96 5.95 70.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.97 150.03 52.19 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 136' ' ' ILE . 4.7 mp -106.02 117.88 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -84.21 171.0 13.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.3 t80 -56.05 -45.85 79.12 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.935 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.9 pt-20 -57.85 -46.21 85.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.95 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 34.5 tt0 -67.02 -37.24 83.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.293 0.568 . . . . 0.0 110.018 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.87 -41.99 97.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.333 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 138' ' ' TYR . 68.5 t -60.79 -43.6 95.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.087 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -63.28 -44.49 94.91 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.912 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.671 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.8 t -68.35 -42.16 84.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.644 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 ttm -71.42 -40.06 70.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.067 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 146' ' ' MET . 2.1 tmt? . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.752 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 C--O 1.23 0.044 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.35 -38.03 89.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.095 0.474 . . . . 0.0 109.824 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.27 -38.26 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.063 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.7 tp -60.91 -44.47 97.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -64.05 -33.04 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.402 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 91' ' ' VAL . 75.0 mm-40 -64.06 -44.61 91.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.94 95.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.361 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -59.63 -45.77 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.307 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -62.18 -32.69 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -67.22 -44.02 87.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.992 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.22 -38.36 90.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.096 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.03 88.49 7.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -45.88 89.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 9.3 t0 -61.84 -45.82 92.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER 77.54 47.18 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.269 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.558 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -111.27 9.07 21.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 179.062 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 88.36 21.4 44.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.553 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 77.7 m-85 -147.15 148.04 31.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.657 -0.271 . . . . 0.0 110.656 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.69 116.2 51.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -92.3 155.15 18.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.598 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.34 83.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.83 69.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.723 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 88.4 mt-10 -64.75 -40.44 95.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.746 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 125' ' ' ILE . 10.8 tp -62.55 -40.68 97.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.747 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' THR . 76.1 ttt180 -64.54 -42.08 95.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.02 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.4 m170 -65.06 -40.96 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -65.41 -40.84 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.246 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.3 mmt -64.19 -36.1 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.184 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 28.8 p -72.02 -41.85 67.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.261 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.97 -40.23 97.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 108.815 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.25 -26.81 66.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.32 14.36 35.88 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' MET . 66.4 mm-40 -106.51 135.26 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.092 -1.054 . . . . 0.0 108.595 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 116' ' ' LEU . 33.2 pttt -121.3 99.79 6.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 111.23 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -103.99 154.95 19.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.636 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -84.43 174.66 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.759 178.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.5 p-10 -63.02 -40.85 98.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 109.944 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.9 mt-10 -63.21 -43.46 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.172 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.636 ' H ' HG23 ' A' ' 117' ' ' THR . 65.7 mm-40 -66.35 -45.07 81.44 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.34 -48.56 87.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.232 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.2 -50.02 65.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.654 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.6 -45.03 77.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.489 0.661 . . . . 0.0 110.186 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.0 mm -67.89 -44.82 84.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 129' ' ' ASP . 90.0 mtm180 -65.17 -35.94 82.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.347 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.94 -40.15 75.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.74 -18.14 38.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.293 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 126' ' ' ARG . 68.2 t0 -96.54 121.95 38.92 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.44 -11.9 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 133' ' ' ASP . 67.5 m-20 -86.32 -6.76 58.88 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 174.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.68 -8.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.732 0 CA-C-N 113.364 -1.743 . . . . 0.0 112.853 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 131' ' ' ASP . 45.6 p-10 -41.99 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 88.79 1.42 80.2 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.42 ' C ' HD12 ' A' ' 136' ' ' ILE . 80.4 mt-30 -130.76 148.52 52.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -101.45 118.92 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.562 ' ND2' ' CG ' ' A' ' 139' ' ' GLU . 0.7 OUTLIER -84.99 160.08 20.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.481 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 58.7 t80 -52.12 -52.37 51.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.916 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CG ' ' ND2' ' A' ' 137' ' ' ASN . 21.2 pt-20 -52.16 -43.26 64.0 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.701 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.38 -39.42 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 38.8 t80 -62.09 -40.45 95.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.481 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 55.5 t -63.29 -41.72 93.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.158 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -60.41 -48.37 82.04 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -73.37 -41.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.818 0.342 . . . . 0.0 111.45 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -66.1 -43.67 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.666 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.2 ttp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.479 179.828 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.891 0.377 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.79 -43.27 80.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.198 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 33.6 mp0 -63.46 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.98 -39.57 93.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.393 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 142' ' ' VAL . 37.7 tp -61.12 -43.91 98.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -63.46 -32.65 74.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.527 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.6 mt-10 -65.16 -43.58 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.45 98.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.347 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.27 -45.04 94.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.335 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -61.56 -32.47 72.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -66.39 -44.43 90.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.37 0.605 . . . . 0.0 109.644 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' HA ' HG21 ' A' ' 108' ' ' VAL . 36.1 m-85 -62.81 -39.59 94.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.663 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.5 80.82 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 15.6 pttp -59.9 -43.39 94.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.368 0.604 . . . . 0.0 109.601 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 24.6 m-20 -63.41 -27.89 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.216 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 66.56 37.16 4.6 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.936 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -88.84 -3.15 58.83 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.933 0.396 . . . . 0.0 109.948 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.84 72.85 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -135.0 137.27 42.84 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -88.94 134.8 27.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.9 t -116.94 158.46 24.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.42 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.08 -40.54 70.49 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.7 58.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.676 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 63.4 mt-10 -65.67 -40.82 92.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.54 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.52 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . 55.9 ttp180 -63.76 -46.7 84.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.683 ' CE1' HD21 ' A' ' 111' ' ' ASN . 41.2 t-80 -66.89 -43.41 83.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.012 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -63.96 -44.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.303 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -66.71 -27.52 67.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.614 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.0 m -73.53 -41.42 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.221 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.683 HD21 ' CE1' ' A' ' 107' ' ' HIS . 94.0 m-20 -65.54 -39.04 91.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.996 0.903 . . . . 0.0 108.873 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -50.99 -25.64 4.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.783 -1.553 . . . . 0.0 111.194 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.83 18.39 47.83 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 -177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -112.89 142.31 45.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 113.73 -1.235 . . . . 0.0 107.799 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -123.33 100.11 6.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.33 0.586 . . . . 0.0 111.414 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.605 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -100.73 153.06 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.074 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -82.54 172.15 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.882 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.27 -38.47 91.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.786 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.53 -41.33 80.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.27 -44.12 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.76 -47.67 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.186 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.45 -49.1 74.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -55.64 -43.49 76.26 Favored 'General case' 0 CA--C 1.523 -0.07 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.94 -42.93 94.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.625 0.726 . . . . 0.0 110.168 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mm -68.64 -45.0 82.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -67.99 -36.24 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.096 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -70.2 -38.29 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.439 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.04 -18.23 50.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.915 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 4.6 m-20 -93.88 121.95 35.87 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.44 -13.07 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.557 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.3 m-20 -99.38 10.34 41.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 171.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.18 6.49 0.1 OUTLIER Glycine 0 C--N 1.357 1.743 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.68 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 131' ' ' ASP . 85.5 m-20 -49.87 -22.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.535 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.4 3.18 88.77 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.449 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 26.7 mt-30 -123.31 136.22 54.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.53 109.71 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -77.81 160.3 28.43 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.736 ' O ' HG23 ' A' ' 142' ' ' VAL . 61.1 t80 -48.93 -45.73 42.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.749 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.63 -41.81 99.23 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.348 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -66.56 -40.87 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.77 -38.54 88.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.931 0.872 . . . . 0.0 108.84 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 138' ' ' TYR . 79.2 t -66.83 -40.75 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.403 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -60.37 -49.25 78.32 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.586 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -71.73 -43.35 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.627 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 144' ' ' VAL . 62.1 tpp -62.71 -47.05 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.124 0.488 . . . . 0.0 110.972 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.7 mmm . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.443 -179.835 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 CA--C 1.519 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -58.2 -37.64 75.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.257 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.18 -37.99 89.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.38 -40.5 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.221 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.2 tp -61.46 -43.54 98.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.223 0.535 . . . . 0.0 109.781 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -63.9 -32.28 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.61 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.5 mt-10 -64.46 -44.1 92.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.07 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.168 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.61 -45.47 91.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.22 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.79 -32.47 73.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.2 t -66.52 -43.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 109.939 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.21 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -87.81 89.11 7.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.02 -34.99 78.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.974 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 66.34 48.45 1.59 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.599 0.562 . . . . 0.0 111.775 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -109.69 6.36 23.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.192 0.52 . . . . 0.0 109.731 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.8 26.24 35.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 83.4 m-85 -153.98 126.41 8.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.567 0.222 . . . . 0.0 110.822 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.5 mt -89.85 128.54 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -106.75 157.98 17.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.519 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.516 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -58.2 -43.81 87.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.536 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.77 -50.06 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.949 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.47 -40.42 93.14 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.863 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.15 -36.16 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.747 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 110' ' ' THR . 74.8 ttt180 -65.0 -42.85 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.057 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.1 m80 -64.69 -41.6 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.99 -40.77 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.1 mmt -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.497 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 106' ' ' ARG . 21.3 p -75.55 -39.09 58.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 110.339 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.4 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.039 0.924 . . . . 0.0 108.862 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.41 -39.71 91.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.119 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.56 21.88 7.68 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -103.57 136.67 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -103.42 81.13 1.89 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.959 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.617 HD13 ' OE1' ' A' ' 120' ' ' GLU . 3.8 mm? -81.05 155.73 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.062 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -103.41 170.45 7.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.602 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -64.77 -40.07 94.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -69.43 -39.43 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.796 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.617 ' OE1' HD13 ' A' ' 116' ' ' LEU . 99.0 mt-10 -65.44 -43.29 90.9 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 41.8 t -61.43 -49.15 85.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.052 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 126' ' ' ARG . 19.7 t70 -61.98 -48.04 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.051 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.71 -42.09 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 110.702 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.3 ttt -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.901 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.12 -50.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.263 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 122' ' ' ASP . 71.9 mtt85 -64.83 -37.17 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.704 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.65 -36.46 80.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -87.29 -20.84 26.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 126' ' ' ARG . 58.9 m-20 -99.32 127.67 45.36 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.302 0.2 OUTLIER -124.67 -5.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.972 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -95.53 -1.64 50.16 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.44 14.75 50.32 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.754 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 42.0 p-10 -53.82 -29.07 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.04 2.63 80.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.43 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 42.8 mt-30 -131.84 148.17 52.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.446 HD13 ' OD1' ' A' ' 129' ' ' ASP . 9.5 mm -101.92 113.32 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.18 160.46 23.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.467 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 60.8 t80 -50.15 -59.16 4.2 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.179 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.91 -44.03 39.83 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.993 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.27 -39.91 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -61.41 -42.34 98.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 74.2 t -60.03 -43.79 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.446 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -44.55 95.92 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.081 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.496 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.3 t -69.24 -45.55 79.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.5 tpp -69.6 -41.5 75.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 110.973 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.691 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 49.7 m -56.46 -44.59 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.979 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.625 ' HG3' ' HZ3' ' A' ' 86' ' ' LYS . 46.1 tp10 -57.6 -41.06 80.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -62.66 -38.69 91.32 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.34 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.064 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.1 tp -60.99 -44.38 97.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.987 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.625 ' HZ3' ' HG3' ' A' ' 82' ' ' GLU . 60.8 mttp -63.58 -33.38 75.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.479 179.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.0 mt-10 -63.83 -43.78 95.18 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 177.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.41 -42.86 96.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.343 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -59.08 -45.24 91.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.111 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -62.73 -34.02 76.32 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.886 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.9 t -67.17 -44.17 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.075 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -65.18 -38.85 91.81 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.273 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 45.1 t0 -84.55 88.11 7.3 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.261 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.472 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 8.9 t0 -58.73 -31.08 67.97 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.55 45.96 7.77 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.625 177.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.472 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.8 p30 -111.43 7.05 20.67 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.029 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.1 23.86 33.65 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 88.7 m-85 -147.2 147.71 30.76 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.56 125.41 70.84 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.4 154.83 20.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.108 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -56.19 -42.48 77.19 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.26 78.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.808 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 108' ' ' VAL . 92.0 mt-10 -65.27 -43.71 90.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.781 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 125' ' ' ILE . 8.1 tp -65.03 -37.71 88.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.631 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 76.9 ttt-85 -61.8 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.923 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -66.19 -41.88 89.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 104' ' ' GLU . 70.1 t -62.24 -43.78 98.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.193 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.7 mmt -65.77 -34.93 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.1 m -65.09 -45.29 85.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.214 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -64.84 -39.38 93.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.682 0.754 . . . . 0.0 109.382 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -48.44 -23.0 0.81 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.176 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.88 12.63 60.26 Favored Glycine 0 N--CA 1.46 0.237 0 N-CA-C 108.064 -2.014 . . . . 0.0 108.064 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -109.97 141.47 42.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.005 -1.097 . . . . 0.0 108.419 179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -122.02 98.31 5.88 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.009 0.433 . . . . 0.0 111.304 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 9.0 mp -98.03 155.14 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.986 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.576 HG22 ' N ' ' A' ' 118' ' ' ASP . 63.3 m -79.87 166.59 21.52 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.576 ' N ' HG22 ' A' ' 117' ' ' THR . 34.3 m-20 -63.6 -40.02 95.86 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.002 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -65.18 -40.39 94.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.475 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -66.39 -43.78 84.89 Favored 'General case' 0 CA--C 1.518 -0.268 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.05 -47.66 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.035 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -64.9 -49.68 69.5 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.6 -44.1 76.67 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.693 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.1 ttt -63.44 -41.71 98.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.513 0.673 . . . . 0.0 109.878 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 105' ' ' LEU . 10.3 mm -67.1 -46.84 83.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 114.859 -1.064 . . . . 0.0 110.456 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -67.63 -37.06 81.94 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.02 -33.26 75.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.427 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -89.97 -9.0 50.35 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.36 178.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.6 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 29.6 t0 -98.41 106.13 18.37 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 122.118 0.961 . . . . 0.0 110.029 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -93.39 -36.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.686 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.368 -176.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' A' ' 133' ' ' ASP . 43.7 m-20 -91.97 2.26 56.66 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 56.67 -2.12 0.09 OUTLIER Glycine 0 CA--C 1.535 1.338 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.527 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.531 ' H ' ' C ' ' A' ' 131' ' ' ASP . 40.8 p-10 -43.87 -19.75 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.703 0.252 . . . . 0.0 111.655 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.6 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 92.14 -0.72 72.61 Favored Glycine 0 N--CA 1.465 0.617 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.1 mm-40 -136.95 154.83 50.34 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 56.7 mt -113.7 118.17 57.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.67 170.62 14.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.573 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 56.4 t80 -59.22 -49.7 76.84 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.199 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.482 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 12.6 pt-20 -50.21 -48.01 54.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 109.961 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 144' ' ' VAL . 38.0 tt0 -67.76 -38.17 83.1 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.678 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.452 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 14.0 t80 -60.66 -42.06 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.573 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 48.2 t -60.37 -44.66 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.686 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.47 -44.22 95.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.715 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 140' ' ' GLU . 59.5 t -69.17 -44.23 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-O 121.021 0.439 . . . . 0.0 110.979 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.452 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 30.4 mmt -66.7 -40.67 88.59 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.284 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.5 ttp -65.49 -43.22 90.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.82 -99.22 0.34 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.5 tttp . . . . . 0 C--O 1.221 -0.407 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.315 -179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.3 m -59.3 -46.83 87.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.626 -0.43 . . . . 0.0 109.986 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.74 -39.53 81.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.219 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.63 -40.07 86.38 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.087 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -65.09 -46.99 78.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.415 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' ' SD ' ' A' ' 145' ' ' MET . 57.8 tp -57.46 -46.15 83.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.229 -179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HB2' ' HZ2' ' A' ' 86' ' ' LYS . 9.4 mtmp? -63.26 -31.11 72.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.682 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.49 -42.67 87.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.78 98.31 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.235 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' CD1' HD11 ' A' ' 100' ' ' ILE . 73.7 t80 -61.36 -44.95 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.035 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' HG3' ' OE1' ' A' ' 96' ' ' GLN . 64.9 ttp85 -59.52 -33.05 70.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.242 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.59 -45.03 89.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.237 0.541 . . . . 0.0 109.541 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.23 -41.49 99.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.613 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -84.55 86.66 7.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.076 0.465 . . . . 0.0 112.069 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.65 -46.03 91.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.669 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -62.6 -45.2 93.97 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.402 ' OE1' ' HG3' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.22 50.23 0.11 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 123.885 0.741 . . . . 0.0 110.901 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.822 ' H ' HD22 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -105.66 7.37 32.63 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 178.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.65 63.76 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.306 -1.118 . . . . 0.0 110.306 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.795 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 25.4 m-85 -124.66 158.48 33.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.789 0.328 . . . . 0.0 110.522 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' A' ' 89' ' ' PHE . 79.6 mt -118.36 127.24 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 p -99.78 153.23 19.29 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.422 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.15 -42.86 73.63 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.07 62.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.86 178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' O ' HG23 ' A' ' 108' ' ' VAL . 89.9 mt-10 -63.84 -41.41 97.83 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 tp -64.88 -38.91 92.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.281 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' ALA . 56.3 ttp180 -61.65 -43.11 99.47 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.658 ' CE1' HD21 ' A' ' 111' ' ' ASN . 66.2 t-80 -65.83 -41.88 91.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.916 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 104' ' ' GLU . 69.3 t -62.86 -42.9 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.067 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.493 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 7.2 mmt -63.88 -36.65 84.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.705 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.0 m -63.58 -43.92 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.083 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.658 HD21 ' CE1' ' A' ' 107' ' ' HIS . 91.6 m-20 -60.72 -35.41 76.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.824 0.821 . . . . 0.0 109.123 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -41.43 91.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.118 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.81 16.14 20.35 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.493 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 96.6 mt-10 -98.09 135.42 39.79 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -116.66 90.38 3.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.502 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.588 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.1 mp -94.45 153.95 17.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.893 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.4 p -82.55 169.06 16.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.745 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.26 -40.31 95.8 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.82 -40.09 91.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.837 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -65.55 -44.81 85.65 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 119.763 -0.775 . . . . 0.0 108.938 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.17 -48.38 89.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.089 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.84 -49.97 68.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.274 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -54.88 -44.26 73.93 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.765 0.317 . . . . 0.0 111.063 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.6 ttp -64.8 -42.05 95.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.573 0.701 . . . . 0.0 110.281 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.1 mm -66.42 -45.72 88.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.75 -1.114 . . . . 0.0 111.003 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -67.57 -35.86 79.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.239 0.543 . . . . 0.0 109.806 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -69.07 -39.87 78.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.561 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -76.74 -20.22 56.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.528 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -97.35 125.25 41.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.391 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 7.4 m -128.84 -19.22 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.547 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.067 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 55.2 p-10 -77.22 -11.89 59.88 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 71.44 72.6 0.9 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-N 114.403 -1.271 . . . . 0.0 111.221 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 48.0 p-10 -143.15 -26.28 0.59 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.544 0.211 . . . . 0.0 111.024 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.494 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.1 6.29 86.65 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -124.36 140.78 52.63 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.8 mp -98.41 112.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.756 HD22 ' H ' ' A' ' 139' ' ' GLU . 3.2 t30 -81.37 164.14 22.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.6 t80 -53.92 -46.34 71.46 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.908 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.756 ' H ' HD22 ' A' ' 137' ' ' ASN . 16.5 pt-20 -56.77 -42.62 79.71 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.853 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.423 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 32.1 tt0 -69.02 -38.32 79.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.071 0.462 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.487 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 75.0 t80 -59.2 -40.05 84.55 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.4 t -65.54 -41.52 91.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.058 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -61.37 -48.36 81.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.535 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 145' ' ' MET . 35.3 m -72.31 -40.47 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 120.81 0.338 . . . . 0.0 111.665 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.487 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 2.7 ttm -70.35 -45.85 65.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.3 ttm -66.79 -42.26 86.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.577 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.735 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 118.082 -0.961 . . . . 0.0 111.715 179.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.7 m -58.75 -46.36 87.61 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.653 -0.419 . . . . 0.0 109.921 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.32 -39.26 78.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 87' ' ' GLU . 83.3 tt0 -62.88 -39.32 94.12 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.152 0.501 . . . . 0.0 109.955 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -64.95 -40.38 94.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.134 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 45.6 tp -61.35 -44.05 97.84 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.209 0.528 . . . . 0.0 110.161 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -63.75 -31.81 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.448 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.553 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -65.05 -45.28 86.06 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.01 96.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.892 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.595 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.2 t80 -62.26 -45.06 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.442 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.49 ' NH2' ' OE1' ' A' ' 96' ' ' GLN . 13.3 mmm180 -61.95 -34.71 76.6 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.069 0.461 . . . . 0.0 110.382 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.1 t -67.53 -42.23 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.483 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.745 ' HA ' HG21 ' A' ' 108' ' ' VAL . 4.5 m-30 -61.15 -40.55 94.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.369 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -83.12 92.3 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -61.49 -47.71 84.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.473 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -67.02 -36.2 81.58 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.003 0.43 . . . . 0.0 112.121 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.49 ' OE1' ' NH2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER 74.67 43.77 0.23 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.591 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.76 6.0 49.53 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 121.712 -0.618 . . . . 0.0 111.039 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.62 -4.85 79.8 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -127.06 159.11 35.15 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.595 HD11 ' CD1' ' A' ' 89' ' ' PHE . 89.4 mt -115.12 127.08 72.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.22 151.42 23.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.181 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.5 -38.09 52.32 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.12 -48.57 78.31 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.536 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.0 mt-10 -67.23 -45.01 78.06 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.909 179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -61.5 -39.64 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.665 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 110' ' ' THR . 68.8 ttt180 -63.53 -43.06 98.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.826 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.2 m170 -64.24 -45.97 85.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.135 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.745 HG21 ' HA ' ' A' ' 92' ' ' PHE . 62.1 t -66.42 -40.62 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.31 -38.95 92.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.717 178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 19.2 m -62.95 -41.11 99.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.953 0.406 . . . . 0.0 110.124 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -62.03 -31.38 71.77 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.673 0.749 . . . . 0.0 109.352 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -39.94 84.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.442 -1.254 . . . . 0.0 110.08 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.93 22.26 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 107.621 -2.192 . . . . 0.0 107.621 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.17 133.77 47.71 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 113.953 -1.123 . . . . 0.0 108.246 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -111.99 92.62 4.1 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.937 0.399 . . . . 0.0 110.908 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.738 ' N ' HD12 ' A' ' 116' ' ' LEU . 5.7 mp -89.74 147.24 23.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.945 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.591 HG22 ' N ' ' A' ' 118' ' ' ASP . 65.6 m -77.03 168.04 20.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 117' ' ' THR . 33.2 t70 -62.51 -40.03 95.43 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.94 -37.37 84.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.447 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.28 -45.23 77.21 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.27 -49.51 84.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.157 -0.928 . . . . 0.0 110.251 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.85 -49.02 76.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 110.885 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -56.64 -41.45 77.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.772 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -65.14 -42.88 93.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.485 0.659 . . . . 0.0 110.101 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.8 mm -66.2 -44.69 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.459 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 129' ' ' ASP . 2.6 mpt_? -68.56 -34.47 75.89 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -71.02 -41.8 70.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.134 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.49 -20.67 50.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.543 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 126' ' ' ARG . 46.1 t0 -100.48 125.17 46.77 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -11.51 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 177.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -83.59 -12.07 56.54 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.8 -1.66 21.63 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 112.655 -2.066 . . . . 0.0 112.984 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.538 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 56.1 m-20 -42.29 -26.62 0.11 Allowed 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.762 -0.258 . . . . 0.0 111.087 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.2 1.32 69.7 Favored Glycine 0 N--CA 1.466 0.687 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.538 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 10.6 mp0 -140.64 159.79 41.44 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.459 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -104.21 115.06 45.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -81.93 167.73 18.62 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.406 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 65.9 t80 -56.19 -48.47 76.3 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 119.65 -0.82 . . . . 0.0 110.674 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -54.28 -45.21 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.515 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 -36.77 79.16 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.471 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 61.5 t80 -60.35 -42.69 96.24 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.406 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 54.6 t -63.68 -40.0 87.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.803 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -58.4 -48.76 79.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.477 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 29.9 m -72.78 -39.55 59.78 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.108 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.471 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 9.7 mmt -70.28 -45.9 65.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.0 ttm -66.97 -39.98 87.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.601 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -61.34 -62.94 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.471 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 147' ' ' ALA . 86.4 tttt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.817 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.5 m -57.64 -44.48 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -57.07 -40.05 76.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -64.26 -37.25 86.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.024 0.44 . . . . 0.0 109.884 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -65.73 -41.23 92.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.27 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.03 -44.15 97.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.028 0.442 . . . . 0.0 109.832 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 64.9 mttm -63.83 -31.58 72.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.668 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 91' ' ' VAL . 80.1 tt0 -64.9 -44.31 89.99 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.03 -42.31 98.22 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.485 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -58.73 -46.51 87.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.295 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -64.36 -31.89 73.28 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.747 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -67.3 -44.36 87.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 121.262 0.553 . . . . 0.0 109.76 178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -63.72 -38.02 89.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.341 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.453 ' OD1' ' OE1' ' A' ' 104' ' ' GLU . 27.4 t0 -98.57 80.51 2.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.886 0.374 . . . . 0.0 111.978 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 107' ' ' HIS . 60.5 pttt -60.11 -38.57 83.4 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' OD1' ' O ' ' A' ' 95' ' ' ASP . 35.5 t0 -55.55 -23.45 26.76 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.366 -178.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.488 ' HB2' ' O ' ' A' ' 95' ' ' ASP . 0.6 OUTLIER 61.52 31.49 18.91 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 176.16 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -98.96 -4.3 33.03 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' O ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.3 28.59 24.66 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.321 -1.111 . . . . 0.0 110.321 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' CD1' ' O ' ' A' ' 98' ' ' GLY . 69.2 m-85 -152.46 132.96 13.8 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -91.43 123.1 43.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 p -108.19 158.05 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.2 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -57.16 -42.25 80.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.496 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.76 -51.01 71.31 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.88 178.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 108' ' ' VAL . 77.2 mt-10 -65.64 -42.26 91.67 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.497 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 tp -65.1 -37.0 86.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.188 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 61.6 ttp180 -63.81 -43.09 97.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.021 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 52.7 m80 -65.59 -41.49 92.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 104' ' ' GLU . 96.2 t -67.7 -40.63 84.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.416 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.1 mmt -66.88 -31.49 72.12 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.337 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 106' ' ' ARG . 17.6 p -74.88 -38.51 61.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.958 0.408 . . . . 0.0 110.385 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -65.21 -38.5 90.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 122.018 0.913 . . . . 0.0 108.882 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.8 tp -61.51 -38.25 86.65 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.936 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.7 19.16 9.95 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -99.96 132.8 45.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 113.944 -1.128 . . . . 0.0 108.082 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' C ' HD12 ' A' ' 116' ' ' LEU . 59.8 mttp -117.92 91.78 3.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.045 0.45 . . . . 0.0 110.95 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.9 mp -99.29 150.54 22.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.91 179.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 11.6 p -82.7 172.98 12.32 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.707 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.82 -37.42 86.7 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.809 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -68.66 -39.8 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.097 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -65.89 -44.36 85.49 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 48.0 t -60.81 -49.29 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.142 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -65.21 -48.71 72.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.07 -44.81 79.29 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.842 0.353 . . . . 0.0 110.833 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.9 ttp -63.94 -42.48 97.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.531 0.682 . . . . 0.0 110.223 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.9 mm -68.15 -43.94 84.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.605 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.73 -34.85 79.14 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.122 0.487 . . . . 0.0 109.796 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -70.6 -40.65 73.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.738 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.21 -14.57 59.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.521 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -97.71 116.93 30.88 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.353 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.2 p -110.01 -22.1 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 120.859 0.361 . . . . 0.0 110.3 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -94.73 -1.79 52.32 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.28 10.21 15.03 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -44.04 -20.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.488 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 86.77 -0.95 86.85 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.427 ' C ' HD12 ' A' ' 136' ' ' ILE . 85.6 mt-30 -141.0 157.81 44.81 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -103.24 110.74 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.409 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 44.5 t30 -81.35 163.06 23.14 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 142' ' ' VAL . 56.1 t80 -52.36 -46.53 66.17 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 119.745 -0.782 . . . . 0.0 110.85 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -57.5 -43.88 84.56 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.305 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.44 -38.53 87.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.995 0.426 . . . . 0.0 109.908 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.405 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 44.7 t80 -62.18 -37.84 86.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.812 0.815 . . . . 0.0 109.253 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.6 t -66.59 -42.06 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.741 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -62.39 -47.9 82.09 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.742 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 145' ' ' MET . 7.1 p -73.28 -45.27 53.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.521 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.557 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.3 ttm -64.04 -46.34 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.796 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.9 ttp -65.35 -41.2 94.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.421 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.03 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.459 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.218 -0.561 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.737 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.1 t -58.61 -46.84 86.16 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 0.0 109.901 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.29 -41.04 83.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.256 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -62.38 -40.43 96.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.064 0.459 . . . . 0.0 109.884 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.93 -44.21 90.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.479 HD21 HG22 ' A' ' 142' ' ' VAL . 44.5 tp -57.29 -44.41 84.01 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.813 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.96 -31.31 72.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.526 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.3 mt-10 -66.62 -42.42 86.84 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.71 96.23 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.499 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD1' HD11 ' A' ' 100' ' ' ILE . 62.0 t80 -60.68 -47.85 84.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.482 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -61.36 -33.33 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.146 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.5 t -68.55 -44.32 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.977 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -62.54 -40.76 97.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.127 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 67.1 t0 -90.66 89.41 7.51 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 0.5 OUTLIER -56.65 -41.94 78.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.909 179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 22.0 m-20 -66.38 -23.91 66.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.767 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 45.53 49.21 10.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.078 -179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -99.61 1.58 43.78 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.682 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.7 27.1 15.28 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 89.2 m-85 -151.05 150.98 31.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.657 0.265 . . . . 0.0 110.645 179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' ' 141' ' ' PHE . 88.2 mt -115.36 129.66 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 t -116.23 154.91 29.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.064 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.27 -40.56 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.17 -55.52 20.5 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.66 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 65.5 mt-10 -62.8 -42.1 99.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.863 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.511 ' O ' ' SD ' ' A' ' 109' ' ' MET . 3.9 tp -62.37 -40.56 96.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.656 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' ALA . 77.6 ttt-85 -65.99 -43.65 87.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.068 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -67.12 -45.1 78.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.188 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 104' ' ' GLU . 68.9 t -64.41 -44.07 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.148 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.18 -35.15 80.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.889 178.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.7 m -63.21 -45.12 93.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.818 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -61.03 -37.52 82.89 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -41.79 97.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.176 -1.375 . . . . 0.0 110.139 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.78 57.21 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -111.0 76.15 0.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 113.691 -1.254 . . . . 0.0 108.48 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -104.46 139.94 38.67 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.068 0.461 . . . . 0.0 110.744 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.855 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.4 OUTLIER -111.44 -174.71 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.673 -179.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 16.1 p -74.17 168.46 19.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.573 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.53 -40.44 96.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.733 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -67.43 -36.15 80.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -68.96 -46.01 69.24 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.19 -49.43 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.964 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.33 -49.38 67.19 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.844 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -56.24 -42.13 76.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 110.653 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 32.4 ttp -64.54 -41.61 96.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.368 0.604 . . . . 0.0 110.195 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.492 HD11 HD22 ' A' ' 105' ' ' LEU . 10.5 mm -67.38 -45.88 84.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' ' 129' ' ' ASP . 96.5 mtt180 -67.19 -33.71 75.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.27 0.557 . . . . 0.0 110.043 179.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.84 -34.09 73.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.273 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.34 -15.53 40.23 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.324 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 66.5 t0 -101.59 123.82 46.23 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 176.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.65 -8.92 6.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 133' ' ' ASP . 61.1 m-20 -90.91 -2.51 57.72 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.062 -2.199 . . . . 0.0 105.062 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 59.05 -2.1 0.28 Allowed Glycine 0 CA--C 1.528 0.904 0 CA-C-N 113.213 -1.812 . . . . 0.0 112.764 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.6 p-10 -45.93 -24.88 0.46 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.677 0.275 . . . . 0.0 111.168 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.484 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 93.56 2.12 65.61 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -136.12 152.65 51.06 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.3 mp -109.79 119.41 58.92 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -80.17 168.21 19.39 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 179.048 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.422 ' O ' ' N ' ' A' ' 141' ' ' PHE . 71.9 t80 -52.46 -65.77 0.5 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 119.654 -0.819 . . . . 0.0 110.977 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.4 pt-20 -42.51 -45.76 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.046 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 74.6 tt0 -67.52 -36.83 81.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 138' ' ' TYR . 39.6 t80 -62.52 -37.04 84.54 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.479 HG22 HD21 ' A' ' 85' ' ' LEU . 67.5 t -66.38 -41.01 88.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.923 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.41 -48.73 80.48 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.574 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 145' ' ' MET . 34.4 m -73.47 -39.6 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.451 ' N ' HG23 ' A' ' 144' ' ' VAL . 49.4 tpp -69.78 -44.82 69.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.505 . . . . 0.0 110.681 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.1 ttp -67.74 -39.51 84.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.573 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -53.69 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.549 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.869 -1.062 . . . . 0.0 110.441 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 t -48.29 -43.22 32.71 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.058 0.456 . . . . 0.0 109.934 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.27 -40.06 80.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.573 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -61.04 -42.05 97.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.162 0.506 . . . . 0.0 110.24 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 84' ' ' GLU . 5.9 mt-10 -65.53 -41.27 93.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.302 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 51.6 tp -59.98 -43.3 95.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.104 0.478 . . . . 0.0 109.899 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -63.75 -32.36 73.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.596 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.2 mt-10 -65.52 -43.05 91.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.3 91.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.538 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -60.72 -46.75 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.588 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.319 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 87' ' ' GLU . 38.2 t -66.18 -46.27 88.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.748 178.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -60.09 -41.8 93.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.177 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.434 ' OD2' ' O ' ' A' ' 99' ' ' PHE . 43.9 t0 -81.29 92.22 6.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.576 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.01 -46.9 81.97 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.82 -39.52 83.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.669 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.412 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 6.3 tt0 70.05 51.76 0.4 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.54 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -109.62 3.42 21.05 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.091 0.472 . . . . 0.0 110.118 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 93.62 29.71 9.75 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 81.6 m-85 -156.13 154.9 31.61 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.49 129.82 74.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.2 p -111.49 154.05 25.29 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.044 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -51.98 -41.19 61.96 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -51.57 67.88 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.488 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' OE1' ' OD1' ' A' ' 93' ' ' ASP . 47.6 mt-10 -62.5 -44.18 97.0 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.498 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.509 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.2 tp -63.65 -37.98 89.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.794 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 102' ' ' ALA . 80.3 ttt180 -65.0 -42.72 94.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.984 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -66.83 -43.75 82.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.21 -43.46 95.38 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.52 -33.9 77.0 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-O 121.096 0.474 . . . . 0.0 109.822 178.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.8 m -65.36 -45.62 83.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.901 0.858 . . . . 0.0 108.878 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -41.96 79.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 113.813 -1.54 . . . . 0.0 110.417 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.03 11.32 Favored Glycine 0 N--CA 1.459 0.183 0 N-CA-C 107.62 -2.192 . . . . 0.0 107.62 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -99.91 137.78 37.89 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -117.37 88.61 2.94 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.165 0.507 . . . . 0.0 111.098 -178.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.0 mp -87.28 165.93 15.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.89 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.579 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.3 t -103.23 170.42 7.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.613 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 36.2 p-10 -60.61 -40.08 90.51 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.275 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.535 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 41.8 tt0 -64.03 -43.61 95.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.417 -178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 117' ' ' THR . 61.7 mm-40 -65.78 -46.91 76.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.49 -48.53 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.73 -49.94 64.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -55.28 -45.37 76.2 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.862 0.363 . . . . 0.0 110.759 -178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -64.14 -43.29 95.66 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.401 0.62 . . . . 0.0 110.225 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.8 mm -67.73 -45.63 84.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.219 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.44 -35.23 79.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.261 0.553 . . . . 0.0 110.205 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -69.93 -38.73 76.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.517 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.534 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -80.8 -13.06 59.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.99 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -109.54 127.99 54.87 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 121.479 0.657 . . . . 0.0 110.821 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.0 m -132.61 -12.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 C-N-CA 124.348 1.059 . . . . 0.0 109.568 -175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -94.5 -10.46 32.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.9 11.77 61.25 Favored Glycine 0 CA--C 1.53 0.989 0 CA-C-N 113.745 -1.571 . . . . 0.0 111.739 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 40.2 p-10 -54.59 -33.74 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 101.22 0.98 54.22 Favored Glycine 0 N--CA 1.466 0.656 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 2.9 mp0 -143.08 160.81 39.69 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 8.7 mm -99.42 117.44 44.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 1.1 m-20 -78.18 163.68 25.6 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.478 ' O ' HG23 ' A' ' 142' ' ' VAL . 59.3 t80 -54.09 -50.7 66.22 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.228 -178.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.3 pt-20 -57.64 -44.02 85.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.867 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 33.0 tt0 -64.47 -35.28 80.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.579 . . . . 0.0 109.773 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 145' ' ' MET . 15.2 t80 -63.92 -40.86 97.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.406 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.1 t -60.88 -43.72 96.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.89 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.35 -46.18 91.32 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.338 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.534 HG21 ' HB1' ' A' ' 128' ' ' ALA . 84.8 t -69.48 -44.2 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-O 120.817 0.342 . . . . 0.0 111.335 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 31.1 mmt -65.43 -42.66 92.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.581 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 69.8 mmm -63.84 -41.3 97.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.565 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.29 -3.4 1.9 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.725 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.821 -1.085 . . . . 0.0 110.509 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 81' ' ' SER . 30.6 p30 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.537 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 70.6 m -59.24 -47.08 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.183 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.21 -42.66 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.179 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 56.0 mp0 -63.39 -38.91 92.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -64.93 -40.54 95.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.323 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.9 tp -61.45 -43.82 98.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.188 0.518 . . . . 0.0 110.039 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' NZ ' ' CE2' ' A' ' 138' ' ' TYR . 67.8 mttm -63.68 -32.11 73.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.477 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.476 ' O ' HG23 ' A' ' 91' ' ' VAL . 72.6 mm-40 -65.18 -43.47 91.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.59 97.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.382 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.43 -45.55 93.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.382 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 65.7 ttp85 -61.81 -33.63 74.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.48 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 87' ' ' GLU . 53.0 t -66.85 -45.6 87.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.337 0.589 . . . . 0.0 109.861 178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -62.7 -40.31 96.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.362 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.526 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 44.1 t0 -83.23 88.89 6.92 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -177.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -62.41 -47.79 82.53 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 121.083 0.468 . . . . 0.0 109.778 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 50.5 m-20 -62.88 -19.01 63.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.313 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 93' ' ' ASP . 42.0 mm-40 53.1 42.03 32.18 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.553 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -103.19 6.76 38.51 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.136 0.88 . . . . 0.0 110.109 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.78 27.2 32.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.844 -1.302 . . . . 0.0 109.844 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 78.3 m-85 -150.97 151.21 31.78 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.535 -0.332 . . . . 0.0 110.347 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -113.73 127.65 70.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.359 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.7 t -112.26 156.6 22.12 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.986 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.68 -42.14 67.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.08 40.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.632 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.5 mt-10 -64.68 -41.3 96.16 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.633 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.513 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.3 tp -61.43 -41.07 96.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.739 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -66.25 -42.49 88.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.09 -46.03 79.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.448 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 104' ' ' GLU . 98.0 t -64.37 -42.98 96.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.188 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.581 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -64.32 -34.79 78.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.3 m -65.7 -43.23 89.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.024 0.44 . . . . 0.0 110.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.85 -37.07 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.854 0.835 . . . . 0.0 108.911 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -42.48 81.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.083 -1.417 . . . . 0.0 110.308 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.81 20.82 9.58 Favored Glycine 0 N--CA 1.46 0.256 0 N-CA-C 107.786 -2.125 . . . . 0.0 107.786 -177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -102.82 140.04 37.61 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.2 89.74 3.17 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 111.311 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.601 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.5 mp -92.62 152.33 19.63 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.964 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.643 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.0 t -88.64 171.55 9.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.719 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -62.94 -40.41 97.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.083 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.03 -43.09 99.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.427 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.643 ' H ' HG23 ' A' ' 117' ' ' THR . 60.0 mm-40 -66.51 -44.89 81.3 Favored 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.3 t -59.6 -50.25 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.209 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -63.46 -48.67 76.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.992 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -54.79 -43.92 73.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.966 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.9 ttt -65.85 -43.13 89.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.464 0.649 . . . . 0.0 110.52 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.448 HD11 HD22 ' A' ' 105' ' ' LEU . 21.1 mm -66.44 -44.59 90.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.606 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.1 ttt-85 -68.95 -34.17 74.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.187 0.518 . . . . 0.0 110.113 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -70.29 -39.68 74.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.21 -11.98 59.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 31.6 m-20 -97.63 115.4 27.83 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.867 0.365 . . . . 0.0 111.071 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 130' ' ' VAL . 40.0 t -105.58 -26.01 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.922 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.282 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.0 m-20 -90.14 -3.68 57.75 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.22 -1.029 . . . . 0.0 108.22 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 61.92 -5.89 0.31 Allowed Glycine 0 CA--C 1.533 1.177 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.496 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 131' ' ' ASP . 47.5 p-10 -43.2 -23.82 0.06 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.837 0.351 . . . . 0.0 110.685 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 132' ' ' GLY . . . 92.34 3.15 67.43 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.39 155.2 49.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 5.1 mp -108.61 115.9 50.46 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 20.9 t-20 -81.06 167.94 19.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.111 -1.441 . . . . 0.0 107.111 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.504 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 68.2 t80 -54.37 -61.9 2.0 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 119.619 -0.832 . . . . 0.0 111.252 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -40.3 -46.09 2.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.171 0.51 . . . . 0.0 111.174 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 144' ' ' VAL . 42.8 tt0 -69.18 -39.33 78.76 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.934 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 138' ' ' TYR . 23.9 t80 -59.87 -26.12 65.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.139 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 97.7 t -76.2 -39.77 35.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.392 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.53 -46.67 88.21 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.058 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -74.93 -43.75 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.712 179.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 23.9 mmt -61.29 -45.29 95.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.463 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 97.7 mmm -67.83 -48.36 66.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.85 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 144' ' ' VAL . . . -128.89 147.64 50.84 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.18 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.352 179.762 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.9 m -57.5 -46.4 83.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.41 . . . . 0.0 109.986 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.86 -40.97 77.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.282 -179.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.05 -39.06 93.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.026 0.441 . . . . 0.0 109.833 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.63 -40.67 95.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.523 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.65 -43.74 97.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.089 0.471 . . . . 0.0 110.085 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -63.27 -33.05 74.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.372 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 91' ' ' VAL . 76.0 mm-40 -65.15 -42.37 93.84 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -44.59 97.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.348 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -59.62 -45.7 91.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -63.27 -34.36 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.39 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.2 t -66.51 -45.65 88.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.697 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -62.65 -40.97 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.286 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 46.2 t0 -86.85 83.83 7.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.034 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.631 ' NZ ' ' CG ' ' A' ' 107' ' ' HIS . 97.4 mttt -61.13 -42.68 98.97 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.645 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -63.51 -19.51 64.83 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.316 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 52.82 39.52 29.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.133 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.65 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -101.65 6.88 42.18 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.271 -0.893 . . . . 0.0 109.074 178.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 85.64 28.84 28.37 Favored Glycine 0 N--CA 1.452 -0.284 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 91.5 m-85 -151.52 151.91 32.24 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.582 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 80.0 mt -114.39 127.28 71.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.0 p -108.03 153.95 22.37 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.109 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.583 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -53.21 -40.17 64.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.65 -51.07 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.708 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.0 mt-10 -65.95 -43.11 88.94 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.706 179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.504 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.9 tp -63.25 -40.89 98.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.298 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' ALA . 60.7 ttp180 -62.64 -43.44 98.81 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.008 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.631 ' CG ' ' NZ ' ' A' ' 94' ' ' LYS . 2.5 t-80 -67.52 -42.96 81.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.113 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 104' ' ' GLU . 89.4 t -62.65 -44.12 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.074 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.599 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.99 -33.95 76.98 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.7 m -69.41 -43.86 72.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.392 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -62.19 -40.0 94.6 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.939 0.876 . . . . 0.0 109.25 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 -39.34 91.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.972 -1.467 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.99 13.79 9.82 Favored Glycine 0 N--CA 1.462 0.369 0 N-CA-C 108.079 -2.009 . . . . 0.0 108.079 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 109' ' ' MET . 73.9 mm-40 -103.49 126.63 50.76 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 113.973 -1.114 . . . . 0.0 108.18 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.1 ttpt -119.63 101.3 7.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.973 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.0 mp -96.99 151.26 19.88 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.059 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.622 HG22 ' N ' ' A' ' 118' ' ' ASP . 77.2 m -76.41 168.03 20.79 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.767 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.622 ' N ' HG22 ' A' ' 117' ' ' THR . 66.9 t0 -63.39 -39.53 94.76 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.187 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -66.86 -40.21 87.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.974 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -66.37 -44.04 84.25 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.583 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 44.0 t -61.01 -49.38 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.267 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -63.29 -47.28 82.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -57.26 -41.41 79.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.79 0.329 . . . . 0.0 110.726 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 9.9 ttp -63.49 -41.63 98.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.441 0.639 . . . . 0.0 110.114 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.27 -46.81 83.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.478 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.09 -35.4 80.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.148 0.499 . . . . 0.0 110.123 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -70.8 -42.55 70.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.613 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -74.22 -21.25 59.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.481 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 35.4 t0 -91.91 118.96 31.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.453 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.7 t -121.72 -22.89 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.922 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 37.7 p30 -83.87 -11.01 57.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.432 ' N ' ' OD1' ' A' ' 131' ' ' ASP . . . 68.38 74.83 0.56 Allowed Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.417 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 30.7 p-10 -128.7 -27.62 2.56 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.626 0.251 . . . . 0.0 111.229 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.8 4.01 73.18 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.48 ' H ' ' CG ' ' A' ' 133' ' ' ASP . 57.5 mt-30 -135.91 152.73 51.3 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.1 mm -104.21 112.87 39.47 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.482 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 0.1 OUTLIER -80.54 168.03 19.4 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 179.254 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 142' ' ' VAL . 47.9 t80 -56.11 -49.38 74.04 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 119.485 -0.886 . . . . 0.0 110.871 -178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -56.44 -48.19 77.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 37.3 tt0 -64.25 -36.82 85.35 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.599 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 36.8 t80 -63.14 -44.3 95.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.02 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 138' ' ' TYR . 43.1 t -58.36 -45.41 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.566 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.49 -43.8 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.866 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.629 HG21 ' HB1' ' A' ' 128' ' ' ALA . 74.2 t -68.72 -43.86 82.69 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.599 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.7 OUTLIER -76.78 -39.57 51.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.124 -178.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 45.9 ttp -69.48 -47.76 62.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.05 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.401 ' O ' ' OXT' ' A' ' 148' ' ' LYS . . . -105.79 -99.98 0.33 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.87 0.367 . . . . 0.0 110.925 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.401 ' OXT' ' O ' ' A' ' 147' ' ' ALA . 30.8 mmtp . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.633 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.9 m -41.96 -36.36 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.234 0.54 . . . . 0.0 110.099 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -54.61 -47.6 73.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.169 -179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 84' ' ' GLU . 0.9 OUTLIER -59.83 -38.58 82.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.175 0.512 . . . . 0.0 109.738 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 83' ' ' GLU . 16.8 tp10 -65.61 -44.46 86.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.717 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD21 HG22 ' A' ' 142' ' ' VAL . 42.7 tp -58.05 -45.22 87.4 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.705 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -63.75 -33.46 75.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.755 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 65.5 mm-40 -61.71 -45.33 94.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.212 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.81 -45.1 93.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.362 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.529 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 74.4 mtm180 -62.9 -32.91 74.28 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.644 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 87' ' ' GLU . 48.6 t -64.87 -44.87 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.28 0.562 . . . . 0.0 109.485 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -63.96 -39.76 94.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.598 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -84.19 88.45 7.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.29 -46.94 85.15 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 48.2 m-20 -66.8 -40.09 87.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.825 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 73.76 49.39 0.13 Allowed 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.78 0.675 . . . . 0.0 111.889 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.556 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -109.58 5.64 23.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.127 0.489 . . . . 0.0 109.959 179.328 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.523 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 88.93 24.55 32.01 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.508 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 71.6 m-85 -148.52 147.98 29.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.162 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.62 124.72 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 m -104.95 154.91 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.281 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.53 -40.64 65.66 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.64 -50.46 68.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.726 -1.124 . . . . 0.0 109.512 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.549 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.1 mt-10 -66.32 -43.04 87.29 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.696 179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.66 -40.89 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.01 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -64.78 -43.18 94.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.88 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -65.85 -42.58 90.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.12 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 104' ' ' GLU . 86.5 t -64.69 -42.97 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.227 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.6 mmt -65.06 -34.34 78.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.93 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.5 m -67.93 -42.89 80.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.183 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.2 -38.15 76.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.919 0.866 . . . . 0.0 108.799 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -54.42 39.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.58 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 113.74 21.08 5.85 Favored Glycine 0 N--CA 1.467 0.726 0 N-CA-C 108.469 -1.853 . . . . 0.0 108.469 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -147.98 87.13 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.876 -1.162 . . . . 0.0 108.102 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -92.71 156.17 17.22 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 111.196 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.19 171.47 7.53 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.755 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.4 p -78.59 172.32 13.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.8 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -63.03 -38.88 92.94 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.865 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.077 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -65.83 -44.27 86.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.011 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.1 -49.97 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.957 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -63.45 -48.59 77.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.297 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -55.25 -44.18 75.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.913 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -65.79 -42.98 90.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.47 0.652 . . . . 0.0 110.36 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 20.1 mm -66.99 -44.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.622 179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 1.4 mmp_? -69.88 -34.42 73.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.204 0.526 . . . . 0.0 110.552 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -72.11 -41.05 67.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.567 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -77.19 -19.23 57.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.448 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 19.6 m-20 -90.92 118.85 30.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.954 0.407 . . . . 0.0 111.951 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 52.1 t -116.45 -17.7 7.65 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 121.224 0.535 . . . . 0.0 110.663 -177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 17.1 m-20 -93.69 -5.08 49.37 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 173.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.72 0.0 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.195 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 131' ' ' ASP . 49.2 p-10 -41.09 -21.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.827 0.346 . . . . 0.0 110.64 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 90.9 1.58 73.05 Favored Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -140.57 158.47 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.6 mp -102.13 114.44 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 15.2 t-20 -82.68 164.71 20.54 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.672 ' O ' HG23 ' A' ' 142' ' ' VAL . 68.9 t80 -54.17 -46.43 72.33 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.073 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 13.6 pt-20 -54.96 -43.71 73.71 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.819 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 30.2 tt0 -69.38 -41.14 76.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.137 0.494 . . . . 0.0 109.979 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -56.93 -35.88 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.035 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 138' ' ' TYR . 97.0 t -69.92 -41.81 79.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 114.679 -1.146 . . . . 0.0 109.622 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.97 -48.06 77.96 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.857 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -70.41 -41.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.549 ' N ' HG13 ' A' ' 144' ' ' VAL . 42.7 tpp -69.86 -41.21 75.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.979 0.419 . . . . 0.0 110.761 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 10.6 ttt -65.39 -42.46 92.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.707 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -88.42 -56.83 3.15 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.775 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 144' ' ' VAL . 37.0 mtmt . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.707 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 14.6 p-10 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.443 ' H ' ' CG ' ' A' ' 80' ' ' ASP . 70.5 m -59.92 -47.68 84.77 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.117 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -58.77 -37.33 76.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.443 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.75 -38.97 92.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.981 0.42 . . . . 0.0 109.889 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.58 -47.46 75.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.939 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.56 -44.81 85.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.908 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -64.32 -31.07 72.13 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.608 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.2 -45.01 90.18 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.33 93.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.223 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -60.29 -45.25 93.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.232 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -61.87 -33.66 74.6 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.82 -43.93 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.705 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' HG21 ' A' ' 108' ' ' VAL . 38.1 m-85 -64.08 -39.64 94.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.413 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -86.11 85.98 7.35 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -63.87 -47.62 79.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.174 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.444 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 13.3 m-20 -63.45 -33.7 76.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.178 0.513 . . . . 0.0 109.953 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.57 42.83 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.385 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -95.24 6.59 48.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.215 0.531 . . . . 0.0 109.813 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.26 -4.43 85.37 Favored Glycine 0 CA--C 1.519 0.302 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.522 ' CD1' ' ND2' ' A' ' 137' ' ' ASN . 6.5 m-85 -131.73 134.85 46.33 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.9 mt -84.84 130.85 35.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t -107.38 153.99 21.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.373 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.06 -38.52 68.14 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.36 -48.74 79.61 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.543 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 108' ' ' VAL . 67.2 mt-10 -63.49 -41.52 98.55 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.743 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.22 -38.94 93.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.585 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -63.73 -45.35 90.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -65.88 -43.04 89.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.118 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 104' ' ' GLU . 93.9 t -63.74 -42.78 97.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.852 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 9.6 mmt -66.49 -31.36 72.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.869 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.3 m -67.22 -43.72 81.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.114 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -62.64 -34.58 77.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.669 0.747 . . . . 0.0 109.258 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -42.49 90.46 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.34 -1.3 . . . . 0.0 110.259 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.23 26.15 8.46 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 107.824 -2.11 . . . . 0.0 107.824 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -101.18 143.96 30.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.127 -1.036 . . . . 0.0 108.404 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -115.74 81.42 1.59 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.022 0.439 . . . . 0.0 111.316 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.4 mp -87.98 166.26 14.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.868 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -107.59 172.04 7.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.755 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -62.32 -38.6 90.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.089 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.43 -42.23 92.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.171 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.597 ' H ' HG23 ' A' ' 117' ' ' THR . 53.5 mm-40 -66.86 -45.91 76.68 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.13 -49.0 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.974 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.42 -47.93 77.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.827 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -57.31 -43.46 83.29 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.662 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.6 ttt -65.86 -44.0 86.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.42 0.628 . . . . 0.0 110.24 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 125' ' ' ILE . 16.8 mm -67.55 -44.47 86.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.328 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.48 ' O ' ' O ' ' A' ' 129' ' ' ASP . 60.4 ttt85 -67.04 -35.44 79.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.275 0.559 . . . . 0.0 109.996 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -71.97 -46.56 56.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.506 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -73.95 -23.25 59.48 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.344 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 126' ' ' ARG . 52.2 t0 -96.83 124.29 40.76 Favored 'General case' 0 CA--C 1.511 -0.555 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.88 -11.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -84.46 -7.95 59.12 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 105.072 -2.195 . . . . 0.0 105.072 174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.01 -0.9 3.01 Favored Glycine 0 CA--C 1.524 0.637 0 CA-C-N 112.884 -1.962 . . . . 0.0 112.501 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.452 ' O ' ' OE1' ' A' ' 135' ' ' GLN . 43.0 p-10 -43.48 -25.6 0.16 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.565 0.221 . . . . 0.0 110.967 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.3 0.36 63.23 Favored Glycine 0 N--CA 1.467 0.74 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' A' ' 133' ' ' ASP . 0.8 OUTLIER -140.35 156.23 46.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.033 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.57 116.0 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.522 ' ND2' ' CD1' ' A' ' 99' ' ' PHE . 9.9 m120 -79.63 158.91 26.94 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.473 ' O ' HG23 ' A' ' 142' ' ' VAL . 58.6 t80 -51.6 -46.78 63.66 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 119.631 -0.828 . . . . 0.0 110.805 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -58.25 -43.16 87.73 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.661 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.33 -38.46 90.22 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -61.62 -44.17 97.49 Favored 'General case' 0 CA--C 1.516 -0.355 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 138' ' ' TYR . 77.5 t -58.19 -43.11 85.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.351 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.29 -46.68 89.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.272 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.408 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.6 t -69.23 -46.59 77.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.693 0.282 . . . . 0.0 111.484 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 mmt -68.71 -45.02 72.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.831 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 44.7 ttm -62.85 -39.28 93.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.299 -179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.09 2.7 17.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.746 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.542 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.4 m -59.17 -46.73 87.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.927 0.394 . . . . 0.0 109.975 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.402 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 8.7 tm-20 -56.88 -42.07 79.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.338 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -63.85 -38.02 89.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 109.883 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -65.22 -38.53 90.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.376 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.04 -44.11 97.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.014 0.435 . . . . 0.0 109.955 179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -64.32 -32.65 74.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.568 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.4 mt-10 -63.82 -44.35 93.51 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.15 -42.69 95.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.366 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -58.64 -46.83 86.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.42 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 88.6 mtm180 -64.85 -33.07 75.13 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.374 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 87' ' ' GLU . 39.9 t -67.65 -45.09 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.923 178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -60.5 -38.94 85.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.253 -178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 96' ' ' GLN . 49.3 t0 -84.27 95.16 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -48.18 82.81 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 14.3 m-20 -65.68 -42.9 90.73 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.368 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.506 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 7.3 tt0 74.88 51.2 0.08 Allowed 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.891 0.745 . . . . 0.0 112.344 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -109.06 9.91 26.21 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.53 26.22 30.75 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.459 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 88.6 m-85 -151.06 151.55 32.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 79.4 mt -113.94 126.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.1 t -107.29 156.15 19.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.168 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.3 -41.54 69.07 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.69 -50.56 67.98 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.423 178.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' OE2' ' OD1' ' A' ' 93' ' ' ASP . 68.7 mt-10 -64.3 -42.13 96.5 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.713 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.81 -40.07 96.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.057 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -62.42 -43.46 98.77 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.999 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -66.93 -45.28 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.111 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 104' ' ' GLU . 94.2 t -65.63 -42.46 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.122 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.78 -34.75 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.716 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.6 m -67.8 -40.09 83.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.295 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -64.3 -35.04 79.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.934 0.873 . . . . 0.0 109.181 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -34.32 65.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.778 -1.555 . . . . 0.0 110.576 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 97.53 16.73 33.31 Favored Glycine 0 CA--C 1.518 0.265 0 N-CA-C 107.465 -2.254 . . . . 0.0 107.465 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -110.67 138.24 47.32 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.414 ' C ' HD12 ' A' ' 116' ' ' LEU . 32.6 mtmm -116.56 100.27 7.73 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.959 0.409 . . . . 0.0 111.474 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.653 ' N ' HD12 ' A' ' 116' ' ' LEU . 7.5 mp -98.53 147.54 24.66 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.828 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 120' ' ' GLU . 12.8 t -81.96 175.6 10.25 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.724 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -65.91 -41.54 91.29 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.411 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.594 ' H ' HG23 ' A' ' 117' ' ' THR . 58.1 mm-40 -66.48 -45.93 78.03 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.9 t -60.17 -48.21 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.133 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.9 -49.18 68.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.017 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -55.46 -42.91 74.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 110.783 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 19.9 ttt -65.17 -42.38 93.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.467 0.651 . . . . 0.0 110.113 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.426 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 5.3 mm -66.48 -44.23 90.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.562 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 126' ' ' ARG . 60.7 ttm-85 -69.71 -35.46 75.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.153 0.501 . . . . 0.0 110.092 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -69.18 -39.04 78.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.417 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -80.61 -13.16 59.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.345 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 125' ' ' ILE . 29.7 m-20 -100.89 119.91 39.37 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 9.6 p -105.96 -18.59 6.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.035 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 37.8 p30 -101.3 1.01 38.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 55.21 9.07 1.87 Allowed Glycine 0 CA--C 1.532 1.127 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.689 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 50.3 p-10 -48.11 -23.08 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.729 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 90.0 -0.47 79.09 Favored Glycine 0 N--CA 1.465 0.596 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -131.64 147.57 52.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -100.4 118.38 46.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.641 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.6 OUTLIER -82.8 158.61 22.72 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.402 ' OH ' ' OE2' ' A' ' 82' ' ' GLU . 51.3 t80 -51.51 -52.15 49.19 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.093 -177.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.641 ' CG ' HD22 ' A' ' 137' ' ' ASN . 15.5 pt-20 -53.86 -42.69 68.83 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.917 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 36.6 tt0 -64.41 -39.55 94.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.124 0.488 . . . . 0.0 109.835 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -62.85 -42.28 99.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.186 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 146' ' ' MET . 55.0 t -59.8 -42.91 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.173 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -61.71 -45.87 92.11 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.077 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 81.7 t -68.86 -43.5 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 111.784 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.3 tpp -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.215 0.531 . . . . 0.0 111.163 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.402 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 10.5 tpp -65.52 -43.05 91.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.549 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.53 -61.24 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.578 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 52.0 tttp . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.429 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 81' ' ' SER . 46.5 t0 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 5.5 t -59.15 -49.73 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.181 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.37 -48.69 71.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.347 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -60.72 -39.41 88.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 0.0 109.989 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.79 -47.38 75.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.027 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 42.2 tp -52.07 -45.65 64.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -64.04 -33.27 75.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' O ' HG23 ' A' ' 91' ' ' VAL . 73.5 mm-40 -65.04 -42.78 94.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.03 97.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.235 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 100' ' ' ILE . 77.4 t80 -60.85 -44.02 97.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.487 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -60.99 -33.87 73.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.128 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.5 t -64.61 -46.0 93.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.55 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -62.05 -41.47 98.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.935 -1.029 . . . . 0.0 112.757 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -87.21 84.27 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.627 ' NZ ' ' CD2' ' A' ' 107' ' ' HIS . 56.5 mtpt -58.74 -44.45 90.51 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -66.18 -40.27 90.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.646 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 71.43 49.53 0.3 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.415 -0.812 . . . . 0.0 111.702 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.831 ' ND2' ' H ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -103.03 4.75 37.62 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.151 0.5 . . . . 0.0 109.914 179.085 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.79 -10.8 68.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.831 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 18.4 m-85 -127.43 128.92 46.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD11 ' CD1' ' A' ' 89' ' ' PHE . 72.1 mt -82.35 130.56 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.478 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.9 m -97.55 149.27 22.38 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.244 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.65 -38.13 71.74 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.31 -48.03 83.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.579 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.505 ' O ' HG23 ' A' ' 108' ' ' VAL . 85.1 mt-10 -67.24 -40.46 86.32 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.721 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.77 -37.45 87.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.853 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -65.05 -43.77 91.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.808 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.627 ' CD2' ' NZ ' ' A' ' 94' ' ' LYS . 11.1 t60 -66.72 -42.12 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 104' ' ' GLU . 63.5 t -62.62 -43.35 98.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.261 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.23 -28.89 65.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.035 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.9 m -72.05 -42.4 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.426 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -65.37 -39.52 92.41 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.896 0.855 . . . . 0.0 109.188 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.0 tp -46.91 -22.25 0.3 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.63 -1.623 . . . . 0.0 110.845 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.19 17.38 55.85 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 107.482 -2.247 . . . . 0.0 107.482 -177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -109.24 141.88 40.89 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 91.77 3.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.136 0.494 . . . . 0.0 111.335 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.733 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.0 mp -92.45 150.52 20.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.357 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -86.32 169.78 12.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.667 178.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -62.84 -37.6 87.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.003 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.9 -43.93 91.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.509 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 117' ' ' THR . 63.8 mm-40 -65.61 -45.35 83.47 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.42 -49.29 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.621 -1.172 . . . . 0.0 110.218 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -63.37 -46.48 86.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -57.31 -43.04 82.92 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.79 0.328 . . . . 0.0 110.902 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 16.4 ttt -64.81 -42.46 95.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.509 0.671 . . . . 0.0 110.035 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.9 mm -68.19 -44.16 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.416 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -68.84 -35.38 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.299 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -72.53 -46.46 54.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.635 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.402 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.273 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 44.8 m-20 -95.86 124.69 39.98 Favored 'General case' 0 C--O 1.244 0.808 0 CA-C-O 121.129 0.49 . . . . 0.0 110.866 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 13.1 m -133.78 -20.14 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.596 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -77.78 -15.97 58.71 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 72.48 1.07 Allowed Glycine 0 CA--C 1.531 1.033 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.562 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 58.5 m-20 -128.27 -31.35 2.32 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.718 0.294 . . . . 0.0 111.204 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.5 2.03 65.81 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 133' ' ' ASP . 7.1 mp0 -142.27 157.91 44.3 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.493 HD12 ' N ' ' A' ' 136' ' ' ILE . 1.7 mp -97.95 111.73 28.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.495 ' ND2' ' CZ ' ' A' ' 99' ' ' PHE . 24.7 t-20 -78.38 161.33 27.24 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.9 t80 -53.0 -47.34 68.34 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.44 -0.904 . . . . 0.0 110.881 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 16.7 pt-20 -57.05 -42.47 80.59 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.74 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.447 ' O ' HG12 ' A' ' 144' ' ' VAL . 33.4 tt0 -66.47 -38.93 88.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.003 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 145' ' ' MET . 45.9 t80 -58.3 -42.38 86.52 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 122.328 1.061 . . . . 0.0 109.109 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 138' ' ' TYR . 93.8 t -61.94 -41.98 92.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 114.609 -1.178 . . . . 0.0 109.039 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -64.82 -49.18 71.63 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.285 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.666 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -74.6 -51.1 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.666 ' N ' HG13 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -57.79 -46.18 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.962 0.411 . . . . 0.0 110.493 -178.376 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 11.3 tpp -66.12 -40.73 90.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.363 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -94.3 -118.15 0.1 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.316 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 147' ' ' ALA . 68.5 mttm . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.1 m -53.22 -44.03 67.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.248 0.547 . . . . 0.0 110.312 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' OE2' ' OH ' ' A' ' 138' ' ' TYR . 14.5 tm-20 -61.72 -34.92 76.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.738 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.51 -40.48 96.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.397 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.79 -36.92 83.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.852 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 44.1 tp -59.95 -44.68 94.25 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.269 -0.573 . . . . 0.0 109.753 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -65.19 -31.34 72.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.584 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 91' ' ' VAL . 96.2 mt-10 -63.96 -44.99 91.09 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.68 90.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.135 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.11 -46.04 90.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.291 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -60.94 -33.87 73.85 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.519 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 87' ' ' GLU . 57.5 t -67.44 -45.28 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.144 178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -63.44 -41.18 98.66 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.202 -179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -88.59 81.24 7.14 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.761 0.315 . . . . 0.0 111.607 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -64.78 -45.96 84.13 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 34.9 m-20 -60.93 -20.85 62.78 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.048 -178.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.468 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER 61.86 28.79 17.62 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.649 0.593 . . . . 0.0 112.025 179.22 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -79.58 -3.58 47.64 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.046 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.02 -0.75 76.5 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -136.64 138.26 40.95 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.1 mt -82.79 126.42 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 t -102.89 151.15 22.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.504 -179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.86 54.95 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.9 -49.39 76.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.804 178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 108' ' ' VAL . 74.8 mt-10 -66.95 -42.5 85.13 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.79 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 125' ' ' ILE . 5.0 tp -62.13 -39.04 91.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.827 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt180 -67.93 -44.18 77.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.824 179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -67.37 -44.89 77.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.1 t -62.87 -44.54 99.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.092 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.615 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -68.15 -27.8 66.75 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.55 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 76.6 m -73.8 -43.03 60.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.23 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.65 -40.28 95.17 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.986 0.898 . . . . 0.0 108.983 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.7 tp -50.28 -20.29 1.02 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 113.865 -1.516 . . . . 0.0 111.068 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.36 18.63 48.58 Favored Glycine 0 C--N 1.331 0.289 0 N-CA-C 108.284 -1.926 . . . . 0.0 108.284 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -114.34 141.83 47.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 113.759 -1.22 . . . . 0.0 108.182 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' C ' HD12 ' A' ' 116' ' ' LEU . 64.4 tttp -129.0 105.71 8.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.062 0.458 . . . . 0.0 111.089 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -104.91 155.78 18.62 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.908 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.3 p -80.39 171.03 15.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.798 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.03 -40.55 98.08 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.816 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.98 -43.51 87.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.171 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.09 -43.09 99.5 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.52 -47.04 94.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.014 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.52 -48.98 75.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -55.88 -46.2 78.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.778 0.323 . . . . 0.0 110.847 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.6 ttp -63.48 -42.39 98.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.441 0.639 . . . . 0.0 110.173 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.542 HD11 HD22 ' A' ' 105' ' ' LEU . 9.9 mm -68.05 -45.88 82.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.154 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -65.97 -36.37 83.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.24 0.543 . . . . 0.0 110.161 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -68.97 -33.96 74.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.708 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.415 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -85.44 -15.94 41.33 Favored 'General case' 0 CA--C 1.557 1.25 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.885 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 7.7 m-20 -96.97 120.52 37.46 Favored 'General case' 0 CA--C 1.572 1.819 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.73 -14.35 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.185 -0.947 . . . . 0.0 109.528 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 133' ' ' ASP . 45.3 p-10 -101.67 -2.56 30.04 Favored 'General case' 0 N--CA 1.427 -1.606 0 N-CA-C 105.067 -2.197 . . . . 0.0 105.067 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 134' ' ' GLY . . . 54.53 11.14 2.47 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 119.426 -1.369 . . . . 0.0 109.84 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.461 ' N ' ' C ' ' A' ' 131' ' ' ASP . 48.6 p-10 -43.58 -25.36 0.16 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.435 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 97.52 -0.63 59.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 2.0 pt20 -146.42 163.25 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 136' ' ' ILE . 1.5 mp -100.92 116.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 56.5 t-20 -78.61 160.1 27.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.451 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 53.2 t80 -53.12 -50.9 63.54 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.776 -178.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -53.78 -42.58 68.43 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.692 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 39.1 tt0 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.404 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 37.8 t80 -61.26 -40.31 93.61 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.8 t -64.84 -41.73 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.725 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.3 -49.52 75.3 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.008 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -72.81 -45.36 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 111.43 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.563 ' N ' HG13 ' A' ' 144' ' ' VAL . 2.4 ttm -62.94 -49.02 76.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.981 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.6 tpp -65.2 -47.08 78.16 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.632 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 144' ' ' VAL . . . -127.6 146.52 50.51 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.12 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 17.2 tptm . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.383 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 81' ' ' SER . 51.5 p30 . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.464 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 62.3 m -58.39 -47.22 84.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.997 0.427 . . . . 0.0 110.044 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -56.4 -43.42 79.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.147 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.13 -39.25 89.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.962 0.41 . . . . 0.0 109.992 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -63.99 -40.54 96.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.368 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 142' ' ' VAL . 58.4 tp -59.79 -45.23 92.93 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -62.56 -34.16 76.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.704 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.65 -44.32 96.55 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.237 -1.024 . . . . 0.0 108.237 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.7 98.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.056 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.39 -40.75 87.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.226 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.655 HH21 HE21 ' A' ' 96' ' ' GLN . 30.9 mmm-85 -65.4 -34.44 78.31 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.925 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 47.6 t -64.15 -45.56 96.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.293 0.568 . . . . 0.0 109.585 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -62.15 -40.69 96.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.706 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -83.32 87.36 6.96 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -177.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -57.69 -47.18 83.07 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.425 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 87.3 m-20 -66.86 -37.55 84.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.111 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.655 HE21 HH21 ' A' ' 90' ' ' ARG . 0.6 OUTLIER 73.31 49.06 0.15 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.558 178.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.4 p-10 -112.33 7.32 19.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.418 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 87.61 27.21 27.71 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.459 -1.057 . . . . 0.0 110.459 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 86.4 m-85 -150.68 149.45 29.84 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.7 mt -116.24 128.87 73.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 p -107.73 153.97 22.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.079 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.54 70.86 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -54.44 -51.68 64.19 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.525 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 108' ' ' VAL . 98.5 mt-10 -65.48 -41.31 93.46 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.812 179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.27 -37.54 85.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -67.89 -43.25 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.896 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 55.5 m80 -66.31 -43.93 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.185 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 104' ' ' GLU . 71.2 t -63.78 -43.29 97.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.128 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.5 mmt -67.93 -30.7 70.08 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 92.1 m -68.21 -44.2 76.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.02 -38.29 90.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.858 0.837 . . . . 0.0 109.151 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.6 tp -53.85 -29.36 40.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 113.686 -1.597 . . . . 0.0 110.667 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.03 17.06 36.16 Favored Glycine 0 CA--C 1.517 0.217 0 N-CA-C 107.738 -2.145 . . . . 0.0 107.738 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -110.25 137.37 48.07 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' C ' HD12 ' A' ' 116' ' ' LEU . 19.8 pttm -121.97 101.4 7.53 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.55 0.69 . . . . 0.0 111.495 -178.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.716 ' N ' HD12 ' A' ' 116' ' ' LEU . 6.1 mp -100.29 151.17 21.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.114 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.4 p -80.53 170.9 15.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.737 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.63 -38.33 90.69 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -67.02 -43.31 83.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.202 -178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.51 -43.75 96.27 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.6 t -63.2 -46.92 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.8 -49.43 68.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.346 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -58.09 -42.66 86.11 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.711 0.291 . . . . 0.0 110.821 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 14.1 ttp -64.64 -42.58 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.521 0.676 . . . . 0.0 110.019 179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 2.9 mm -69.2 -44.51 80.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.31 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.82 -32.72 74.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.0 109.926 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -72.77 -39.37 66.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.415 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.429 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -76.76 -18.2 58.6 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.134 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -97.1 118.88 34.5 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 130' ' ' VAL 0.275 53.4 t -111.92 -25.59 3.44 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.659 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -90.7 -5.82 55.27 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -177.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.94 6.49 45.23 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 113.227 -1.806 . . . . 0.0 111.644 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -51.17 -30.19 16.07 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.437 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.4 2.43 68.02 Favored Glycine 0 N--CA 1.465 0.569 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -137.74 154.05 49.67 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 11.9 mm -98.52 114.9 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 179.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.777 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 0.0 OUTLIER -82.83 162.11 21.74 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.763 ' O ' HG23 ' A' ' 142' ' ' VAL . 64.8 t80 -51.29 -46.9 62.63 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 119.306 -0.957 . . . . 0.0 110.913 -177.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.42 ' CG ' ' OD1' ' A' ' 137' ' ' ASN . 15.3 pt-20 -60.67 -44.88 95.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.982 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.75 -42.36 95.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.197 0.522 . . . . 0.0 109.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -60.2 -43.52 95.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.218 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 138' ' ' TYR . 62.2 t -60.21 -43.07 92.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.168 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -59.71 -46.7 88.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.961 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.429 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.7 t -67.82 -43.47 86.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.854 0.359 . . . . 0.0 111.634 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 46.9 tpp -73.83 -42.76 60.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.411 ' CB ' ' O ' ' A' ' 142' ' ' VAL . 11.9 ttt -63.45 -39.15 93.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.285 -179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.28 -155.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.408 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.65 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.8 m -57.87 -45.24 86.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.998 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -56.48 -42.26 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.135 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.16 -37.85 86.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.85 -44.18 90.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.94 179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.1 tp -57.85 -44.46 86.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.04 -33.05 74.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.8 mt-10 -65.28 -43.8 90.01 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.61 99.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.25 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.93 -44.81 94.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.229 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -62.74 -32.57 73.72 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.776 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.4 t -67.63 -44.38 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 109.932 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -64.14 -39.02 93.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.622 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -83.35 89.98 7.09 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -64.0 -47.54 79.92 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.065 0.46 . . . . 0.0 110.087 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 104' ' ' GLU . 17.3 m-20 -68.36 -23.86 64.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.746 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 62.19 39.56 12.57 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.453 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -92.32 6.45 46.81 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.6 -1.313 . . . . 0.0 109.572 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.07 74.51 Favored Glycine 0 CA--C 1.519 0.316 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.04 155.68 48.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.128 -0.536 . . . . 0.0 110.299 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.0 mt -112.15 128.11 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.331 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -107.98 156.11 19.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.379 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.38 -41.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.06 70.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.443 178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.0 mt-10 -64.73 -42.86 94.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.559 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tp -63.86 -41.56 97.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.134 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -64.3 -43.34 95.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.206 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.642 ' CE1' HD21 ' A' ' 111' ' ' ASN . 58.6 t-80 -66.24 -46.28 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -64.73 -41.35 91.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.053 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.5 ' SD ' ' OE1' ' A' ' 114' ' ' GLU . 8.3 mmt -65.14 -35.23 80.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.646 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.0 m -64.14 -42.34 96.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.35 178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.642 HD21 ' CE1' ' A' ' 107' ' ' HIS . 62.0 m-80 -61.58 -36.41 80.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.844 0.83 . . . . 0.0 109.131 178.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -41.52 83.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.26 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.81 15.9 17.16 Favored Glycine 0 N--CA 1.461 0.303 0 N-CA-C 107.499 -2.24 . . . . 0.0 107.499 -177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.5 ' OE1' ' SD ' ' A' ' 109' ' ' MET . 94.5 mt-10 -97.52 134.77 40.31 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -119.59 91.67 3.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.95 0.405 . . . . 0.0 111.414 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -97.21 165.02 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.558 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.632 HG23 ' H ' ' A' ' 120' ' ' GLU . 14.9 t -95.13 170.79 9.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.576 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 118' ' ' ASP . 22.4 p-10 -64.28 -39.7 94.45 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.815 0.34 . . . . 0.0 110.205 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.83 -42.23 98.78 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.243 -178.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.632 ' H ' HG23 ' A' ' 117' ' ' THR . 66.1 mm-40 -67.2 -43.37 82.28 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 116' ' ' LEU . 49.7 t -59.63 -48.95 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.277 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -65.88 -49.26 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.122 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -55.1 -42.26 72.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.833 -178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 18.7 ttt -66.73 -42.69 85.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.413 0.625 . . . . 0.0 110.44 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' O ' ' OD2' ' A' ' 129' ' ' ASP . 15.3 mm -67.06 -44.62 88.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 114.909 -1.042 . . . . 0.0 111.66 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -70.04 -34.49 73.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.328 0.585 . . . . 0.0 110.165 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -70.82 -39.8 72.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.768 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.404 ' O ' ' CD ' ' A' ' 140' ' ' GLU . . . -78.76 -16.43 57.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.106 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.461 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 35.3 m-20 -98.01 122.46 41.16 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.39 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.83 -12.81 4.05 Favored 'Isoleucine or valine' 0 C--N 1.346 0.434 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 39.7 p-10 -81.64 -14.18 57.0 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.22 73.12 0.79 Allowed Glycine 0 CA--C 1.532 1.126 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.728 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 52.3 p-10 -135.08 -24.12 1.46 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.49 0.186 . . . . 0.0 111.375 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 84.21 7.67 84.77 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.461 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 28.9 mt-30 -134.4 153.87 51.68 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 10.9 mm -103.34 115.38 45.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.613 HD22 ' CG ' ' A' ' 139' ' ' GLU . 0.8 OUTLIER -82.27 160.66 22.89 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 178.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.501 ' O ' HG23 ' A' ' 142' ' ' VAL . 63.4 t80 -52.33 -53.47 43.98 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.88 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.613 ' CG ' HD22 ' A' ' 137' ' ' ASN . 16.4 pt-20 -53.66 -41.61 66.99 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.758 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 128' ' ' ALA . 38.3 tt0 -68.16 -38.69 82.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.55 -37.81 82.46 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 138' ' ' TYR . 96.9 t -67.29 -41.88 87.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.256 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -63.09 -46.48 87.16 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.863 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.539 HG13 ' N ' ' A' ' 145' ' ' MET . 9.8 p -74.29 -42.92 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 120.914 0.388 . . . . 0.0 111.474 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.539 ' N ' HG13 ' A' ' 144' ' ' VAL . 39.0 tpp -66.26 -43.93 85.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.171 0.51 . . . . 0.0 110.857 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 27.3 ttt -65.95 -41.65 90.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.718 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 148' ' ' LYS . . . -93.63 -123.45 0.09 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.45 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 147' ' ' ALA . 53.3 mtmt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.485 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 N--CA 1.493 1.675 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -54.25 -45.17 72.31 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.147 0.498 . . . . 0.0 110.11 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.65 -35.41 77.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.756 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -60.76 -40.58 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.459 -0.497 . . . . 0.0 110.103 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.59 -40.0 88.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.165 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.74 -43.71 97.6 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.872 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -65.13 -31.36 72.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.716 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.8 -44.42 89.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 177.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.38 90.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.04 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -60.89 -44.81 96.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.255 178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.7 ttm-85 -61.23 -34.78 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.423 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.2 -44.58 91.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.307 0.575 . . . . 0.0 109.674 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' A' ' 108' ' ' VAL . 33.0 m-85 -62.22 -41.07 98.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.261 -0.881 . . . . 0.0 112.051 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 20.9 t0 -86.01 84.59 7.48 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -62.97 -49.07 76.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.211 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.464 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 11.1 m-20 -65.54 -34.66 78.78 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 95' ' ' ASP . 0.3 OUTLIER 64.28 51.02 2.2 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 124.389 1.055 . . . . 0.0 112.413 177.159 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -97.07 8.34 44.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.69 -1.141 . . . . 0.0 109.701 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.9 -6.73 73.37 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 -178.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.441 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 1.5 m-85 -129.02 170.03 13.97 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 81.1 mt -118.06 125.54 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 p -104.45 153.2 21.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.929 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -52.44 -38.34 58.96 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.53 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -55.49 -52.41 63.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.292 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 108' ' ' VAL . 68.8 mt-10 -64.13 -43.58 94.82 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.77 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 HD11 ' A' ' 125' ' ' ILE . 3.7 tt -63.92 -34.78 78.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.08 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 102' ' ' ALA . 59.0 ttp180 -67.55 -44.01 79.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.913 178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.3 m80 -66.84 -41.79 86.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.956 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 104' ' ' GLU . 91.5 t -65.26 -44.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.43 -28.47 69.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.59 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.5 m -73.39 -42.15 62.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.36 178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -62.0 -39.34 91.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.783 0.802 . . . . 0.0 109.193 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.6 tp -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.308 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.68 27.25 8.57 Favored Glycine 0 N--CA 1.465 0.581 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -133.29 83.81 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -89.3 140.29 29.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.726 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.852 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -109.39 -174.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.634 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.1 p -84.01 166.81 17.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.644 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -62.81 -35.43 79.85 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -74.48 -34.61 63.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.852 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.35 -46.74 72.52 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -59.74 -50.52 79.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.656 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.11 -46.97 84.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.26 -43.06 82.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.626 0.251 . . . . 0.0 110.91 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.6 ttp -64.92 -42.88 94.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.527 0.679 . . . . 0.0 110.331 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.445 HD11 HD13 ' A' ' 105' ' ' LEU . 24.6 mm -68.35 -43.9 83.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.555 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 129' ' ' ASP . 62.6 ttp180 -68.96 -34.29 75.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.151 0.5 . . . . 0.0 110.148 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -73.29 -43.81 60.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.226 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 140' ' ' GLU . . . -74.53 -17.27 60.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.344 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 46.2 t0 -104.26 125.33 50.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 122.056 0.932 . . . . 0.0 110.637 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.547 HG22 ' OE2' ' A' ' 140' ' ' GLU . 31.3 m -124.37 -17.16 4.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.911 -177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 27.9 p30 -98.61 -6.99 28.82 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.457 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 64.19 25.88 70.02 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 113.595 -1.639 . . . . 0.0 111.491 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 33.3 p-10 -71.91 11.74 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 132' ' ' GLY . . . 62.82 0.75 3.09 Favored Glycine 0 C--N 1.333 0.399 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 178.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.472 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 73.2 mt-30 -143.41 -174.45 4.22 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.07 127.5 65.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -81.32 156.77 25.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.508 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 64.2 t80 -50.04 -57.18 8.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.557 -0.857 . . . . 0.0 111.015 -178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 1.8 pm0 -48.71 -45.17 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.642 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.547 ' OE2' HG22 ' A' ' 130' ' ' VAL . 42.0 tt0 -64.54 -40.73 96.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.976 0.417 . . . . 0.0 110.067 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -60.71 -42.56 97.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.508 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 58.9 t -60.24 -43.9 94.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.182 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.55 -45.14 94.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.921 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 90.4 t -69.06 -46.61 78.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-O 120.798 0.332 . . . . 0.0 111.895 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.0 tpp -64.71 -41.67 95.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.075 0.464 . . . . 0.0 111.005 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 3.2 mmt -63.76 -42.81 97.75 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.454 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.16 -62.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.523 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 19.2 tptp . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.485 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 81' ' ' SER . 41.1 p-10 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 8.5 p -61.14 -49.66 76.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -57.68 -44.28 85.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.391 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 48.5 mp0 -61.13 -39.82 91.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 109.883 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -65.17 -38.48 90.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.382 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.89 -44.37 97.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.159 0.504 . . . . 0.0 109.885 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -64.43 -32.22 73.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 91' ' ' VAL . 69.5 mm-40 -63.97 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.34 -42.94 96.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.335 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -61.96 -45.81 92.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.685 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -59.25 -33.13 70.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.123 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 87' ' ' GLU . 50.6 t -65.6 -45.64 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.614 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -61.99 -41.73 98.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.697 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 99' ' ' PHE . 40.5 t0 -81.56 88.9 6.17 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -60.0 -46.93 87.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 96' ' ' GLN . 26.4 m-20 -71.32 -9.79 58.71 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.844 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 95' ' ' ASP . 1.0 OUTLIER 42.13 48.2 4.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.153 0.908 . . . . 0.0 112.301 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -105.47 4.86 31.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.991 0.424 . . . . 0.0 110.547 178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 88.94 23.79 34.29 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 72.5 m-85 -149.49 149.14 30.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.02 127.8 72.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 m -112.81 157.03 21.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.979 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.94 -43.83 63.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.05 -53.89 43.52 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.525 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 95' ' ' ASP . 61.2 mt-10 -60.76 -43.63 97.76 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.667 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 tp -62.21 -40.15 95.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.066 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.61 -42.99 97.94 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -66.71 -44.25 82.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.984 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 104' ' ' GLU . 99.2 t -66.24 -43.68 91.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.019 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.2 mmt -63.15 -39.3 94.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.845 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 95.3 m -67.24 -43.98 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.256 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -61.68 -42.05 98.39 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.931 0.872 . . . . 0.0 109.15 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.59 -44.41 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 113.968 -1.469 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.8 6.89 45.7 Favored Glycine 0 N--CA 1.46 0.261 0 N-CA-C 108.216 -1.954 . . . . 0.0 108.216 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -108.87 76.95 1.04 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 113.966 -1.117 . . . . 0.0 108.166 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -105.74 134.71 48.42 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.028 0.442 . . . . 0.0 110.855 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -110.42 -175.99 2.87 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.963 -179.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.1 p -70.09 169.11 14.14 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.604 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.91 -40.95 99.16 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.044 0.45 . . . . 0.0 110.015 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.4 mp0 -69.26 -36.39 77.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -66.14 -44.91 82.81 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -61.15 -47.66 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.997 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -67.56 -51.33 51.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.32 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -55.66 -41.12 73.18 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.744 0.307 . . . . 0.0 110.807 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 29.1 ttp -64.38 -41.38 96.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.502 0.668 . . . . 0.0 109.981 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.3 mm -66.27 -45.66 89.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.255 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.83 -34.59 77.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.165 0.507 . . . . 0.0 110.102 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.21 -34.92 77.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.671 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -81.37 -13.84 57.88 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.229 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -102.03 124.01 46.9 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.026 0.441 . . . . 0.0 110.443 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.11 -18.76 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -79.27 -14.35 59.08 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 73.67 0.75 Allowed Glycine 0 CA--C 1.532 1.107 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.413 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 49.4 p-10 -142.54 -26.13 0.63 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.518 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 89.96 5.95 70.17 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -132.97 150.03 52.19 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 136' ' ' ILE . 4.7 mp -106.02 117.88 52.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -84.21 171.0 13.17 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.3 t80 -56.05 -45.85 79.12 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.935 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 140' ' ' GLU . 15.9 pt-20 -57.85 -46.21 85.11 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.95 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 139' ' ' GLU . 34.5 tt0 -67.02 -37.24 83.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.293 0.568 . . . . 0.0 110.018 -179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -60.87 -41.99 97.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.333 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 138' ' ' TYR . 68.5 t -60.79 -43.6 95.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.087 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -63.28 -44.49 94.91 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.912 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.671 HG21 ' HB1' ' A' ' 128' ' ' ALA . 90.8 t -68.35 -42.16 84.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-O 120.837 0.351 . . . . 0.0 111.644 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 ttm -71.42 -40.06 70.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.067 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.422 ' C ' ' SD ' ' A' ' 146' ' ' MET . 2.1 tmt? -63.19 -42.66 99.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.752 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -99.9 -122.96 0.15 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.187 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.503 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.1 m -58.45 -45.46 88.51 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.43 -41.22 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.302 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.35 -38.03 89.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.095 0.474 . . . . 0.0 109.824 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.27 -38.26 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.063 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.7 tp -60.91 -44.47 97.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 0.0 110.0 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -64.05 -33.04 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.402 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 91' ' ' VAL . 75.0 mm-40 -64.06 -44.61 91.9 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.94 95.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.361 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -59.63 -45.77 90.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.307 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -62.18 -32.69 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 87' ' ' GLU . 54.5 t -67.22 -44.02 87.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.992 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -64.22 -38.36 90.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.096 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.03 88.49 7.46 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.18 -45.88 89.87 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 96' ' ' GLN . 9.3 t0 -61.84 -45.82 92.14 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.836 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER 77.54 47.18 0.06 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.269 178.032 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.558 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -111.27 9.07 21.69 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 120.892 0.377 . . . . 0.0 110.376 179.062 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.549 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 88.36 21.4 44.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.553 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 77.7 m-85 -147.15 148.04 31.14 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.657 -0.271 . . . . 0.0 110.656 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.6 mt -112.69 116.2 51.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -92.3 155.15 18.14 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.598 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.34 83.26 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.83 69.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.723 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 88.4 mt-10 -64.75 -40.44 95.29 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.746 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 125' ' ' ILE . 10.8 tp -62.55 -40.68 97.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.747 179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 110' ' ' THR . 76.1 ttt180 -64.54 -42.08 95.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.02 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 55.4 m170 -65.06 -40.96 95.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' GLU . 74.2 t -65.41 -40.84 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.246 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.419 ' O ' ' O ' ' A' ' 114' ' ' GLU . 19.3 mmt -64.19 -36.1 82.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.184 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 28.8 p -72.02 -41.85 67.06 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 120.942 0.401 . . . . 0.0 110.261 179.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.97 -40.23 97.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.938 0.875 . . . . 0.0 108.815 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.25 -26.81 66.73 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 113.878 -1.51 . . . . 0.0 111.112 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.32 14.36 35.88 Favored Glycine 0 N--CA 1.463 0.457 0 N-CA-C 108.371 -1.892 . . . . 0.0 108.371 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 109' ' ' MET . 66.4 mm-40 -106.51 135.26 48.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.092 -1.054 . . . . 0.0 108.595 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.495 ' C ' HD12 ' A' ' 116' ' ' LEU . 33.2 pttt -121.3 99.79 6.68 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.328 0.585 . . . . 0.0 111.23 -179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.545 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -103.99 154.95 19.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.866 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.636 HG23 ' H ' ' A' ' 120' ' ' GLU . 0.1 OUTLIER -84.43 174.66 9.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.759 178.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 33.5 p-10 -63.02 -40.85 98.99 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.028 0.442 . . . . 0.0 109.944 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.509 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.9 mt-10 -63.21 -43.46 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.172 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.636 ' H ' HG23 ' A' ' 117' ' ' THR . 65.7 mm-40 -66.35 -45.07 81.44 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 178.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -60.34 -48.56 87.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.232 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.2 -50.02 65.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.654 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.6 -45.03 77.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.8 ttt -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.489 0.661 . . . . 0.0 110.186 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 10.0 mm -67.89 -44.82 84.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 129' ' ' ASP . 90.0 mtm180 -65.17 -35.94 82.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.949 0.404 . . . . 0.0 110.347 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.94 -40.15 75.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.552 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.74 -18.14 38.85 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.293 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 126' ' ' ARG . 68.2 t0 -96.54 121.95 38.92 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.44 -11.9 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.658 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 133' ' ' ASP . 67.5 m-20 -86.32 -6.76 58.88 Favored 'General case' 0 N--CA 1.504 2.275 0 N-CA-C 105.11 -2.182 . . . . 0.0 105.11 174.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 134' ' ' GLY . . . 60.68 -8.24 0.08 OUTLIER Glycine 0 CA--C 1.526 0.732 0 CA-C-N 113.364 -1.743 . . . . 0.0 112.853 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 131' ' ' ASP . 45.6 p-10 -41.99 -19.28 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.757 0.313 . . . . 0.0 111.226 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' GLY . . . 88.79 1.42 80.2 Favored Glycine 0 N--CA 1.463 0.45 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.42 ' C ' HD12 ' A' ' 136' ' ' ILE . 80.4 mt-30 -130.76 148.52 52.55 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 135' ' ' GLN . 1.5 mp -101.45 118.92 48.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.562 ' ND2' ' CG ' ' A' ' 139' ' ' GLU . 0.7 OUTLIER -84.99 160.08 20.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 178.165 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.481 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 58.7 t80 -52.12 -52.37 51.96 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.916 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.562 ' CG ' ' ND2' ' A' ' 137' ' ' ASN . 21.2 pt-20 -52.16 -43.26 64.0 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.701 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -65.38 -39.42 92.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.604 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 38.8 t80 -62.09 -40.45 95.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.481 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 55.5 t -63.29 -41.72 93.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.158 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -60.41 -48.37 82.04 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 145' ' ' MET . 7.6 p -73.37 -41.35 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.818 0.342 . . . . 0.0 111.45 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.604 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 0.0 OUTLIER -66.1 -43.67 86.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.666 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.2 ttp -67.67 -40.42 84.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.479 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -46.69 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.58 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.581 179.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 50.0 p30 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.1 m -58.19 -46.26 86.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.166 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -56.79 -43.27 80.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.198 -179.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 33.6 mp0 -63.46 -38.1 89.83 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.98 -39.57 93.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.393 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD21 HG22 ' A' ' 142' ' ' VAL . 37.7 tp -61.12 -43.91 98.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.083 0.468 . . . . 0.0 110.025 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -63.46 -32.65 74.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.527 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.6 mt-10 -65.16 -43.58 91.33 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.45 98.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.347 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -60.27 -45.04 94.71 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.335 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -61.56 -32.47 72.55 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.599 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 87' ' ' GLU . 42.9 t -66.39 -44.43 90.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.37 0.605 . . . . 0.0 109.644 178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.41 ' HA ' HG21 ' A' ' 108' ' ' VAL . 36.1 m-85 -62.81 -39.59 94.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.663 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.5 80.82 4.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 95' ' ' ASP . 15.6 pttp -59.9 -43.39 94.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.368 0.604 . . . . 0.0 109.601 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 94' ' ' LYS . 24.6 m-20 -63.41 -27.89 69.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.216 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 66.56 37.16 4.6 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.936 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -88.84 -3.15 58.83 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.933 0.396 . . . . 0.0 109.948 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.32 0.84 72.85 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -135.0 137.27 42.84 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -88.94 134.8 27.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.9 t -116.94 158.46 24.03 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.42 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' ARG . . . -55.08 -40.54 70.49 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.57 -52.7 58.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.676 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.615 ' O ' HG23 ' A' ' 108' ' ' VAL . 63.4 mt-10 -65.67 -40.82 92.79 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.54 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.52 -39.26 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.076 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 102' ' ' ALA . 55.9 ttp180 -63.76 -46.7 84.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.303 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.683 ' CE1' HD21 ' A' ' 111' ' ' ASN . 41.2 t-80 -66.89 -43.41 83.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.012 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 104' ' ' GLU . 76.5 t -63.96 -44.52 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.303 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.0 mmt -66.71 -27.52 67.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.614 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.0 m -73.53 -41.42 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.221 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.683 HD21 ' CE1' ' A' ' 107' ' ' HIS . 94.0 m-20 -65.54 -39.04 91.28 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.996 0.903 . . . . 0.0 108.873 178.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -50.99 -25.64 4.97 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 113.783 -1.553 . . . . 0.0 111.194 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.83 18.39 47.83 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 107.913 -2.075 . . . . 0.0 107.913 -177.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -112.89 142.31 45.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 113.73 -1.235 . . . . 0.0 107.799 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -123.33 100.11 6.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.33 0.586 . . . . 0.0 111.414 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.605 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.1 mp -100.73 153.06 19.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.074 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 50.5 p -82.54 172.15 13.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.882 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -63.27 -38.47 91.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.786 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -68.53 -41.33 80.03 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.092 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.27 -44.12 92.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.76 -47.67 92.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.186 179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.45 -49.1 74.99 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.235 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -55.64 -43.49 76.26 Favored 'General case' 0 CA--C 1.523 -0.07 0 CA-C-O 120.773 0.321 . . . . 0.0 111.045 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 22.5 ttt -64.94 -42.93 94.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.625 0.726 . . . . 0.0 110.168 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 4.0 mm -68.64 -45.0 82.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 114.733 -1.121 . . . . 0.0 111.094 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -67.99 -36.24 79.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.224 0.535 . . . . 0.0 110.096 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -70.2 -38.29 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.439 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.04 -18.23 50.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.915 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 135' ' ' GLN . 4.6 m-20 -93.88 121.95 35.87 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.44 -13.07 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.65 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.557 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 133' ' ' ASP . 20.3 m-20 -99.38 10.34 41.59 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 103.516 -2.772 . . . . 0.0 103.516 171.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 50.18 6.49 0.1 OUTLIER Glycine 0 C--N 1.357 1.743 0 CA-C-N 114.9 -1.045 . . . . 0.0 110.68 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 131' ' ' ASP . 85.5 m-20 -49.87 -22.45 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.73 0.3 . . . . 0.0 110.535 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.4 3.18 88.77 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.449 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 26.7 mt-30 -123.31 136.22 54.57 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.53 109.71 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -77.81 160.3 28.43 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 178.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.736 ' O ' HG23 ' A' ' 142' ' ' VAL . 61.1 t80 -48.93 -45.73 42.08 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.379 -0.929 . . . . 0.0 110.749 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -62.63 -41.81 99.23 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.348 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -66.56 -40.87 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -61.77 -38.54 88.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.931 0.872 . . . . 0.0 108.84 178.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 138' ' ' TYR . 79.2 t -66.83 -40.75 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.403 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -60.37 -49.25 78.32 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.586 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 145' ' ' MET . 7.3 p -71.73 -43.35 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 111.627 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.502 ' N ' HG13 ' A' ' 144' ' ' VAL . 62.1 tpp -62.71 -47.05 85.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.124 0.488 . . . . 0.0 110.972 -179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 56.7 mmm -63.99 -41.11 97.6 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.443 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -93.19 -129.42 0.12 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.508 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.634 179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.42 ' CG ' ' H ' ' A' ' 81' ' ' SER . 47.2 t0 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.42 ' H ' ' CG ' ' A' ' 80' ' ' ASP . 6.3 p -58.85 -46.33 87.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.143 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.7 tp10 -58.2 -37.64 75.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.257 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -65.18 -37.99 89.11 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -65.38 -40.5 93.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.221 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 40.2 tp -61.46 -43.54 98.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.223 0.535 . . . . 0.0 109.781 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -63.9 -32.28 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.61 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 91' ' ' VAL . 95.5 mt-10 -64.46 -44.1 92.15 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.07 97.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.168 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.61 -45.47 91.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.22 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -62.79 -32.47 73.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.697 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 87' ' ' GLU . 55.2 t -66.52 -43.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 121.24 0.543 . . . . 0.0 109.939 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.21 -37.78 88.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.332 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -87.81 89.11 7.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.38 -45.91 87.38 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -63.02 -34.99 78.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.974 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 66.34 48.45 1.59 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.599 0.562 . . . . 0.0 111.775 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.0 p-10 -109.69 6.36 23.65 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.192 0.52 . . . . 0.0 109.731 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.478 ' C ' ' CD1' ' A' ' 99' ' ' PHE . . . 85.8 26.24 35.6 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 98' ' ' GLY . 83.4 m-85 -153.98 126.41 8.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.567 0.222 . . . . 0.0 110.822 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 64.5 mt -89.85 128.54 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.8 p -106.75 157.98 17.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.519 -179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.516 ' HB1' ' CG1' ' A' ' 121' ' ' VAL . . . -58.2 -43.81 87.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.536 ' O ' ' ND1' ' A' ' 107' ' ' HIS . . . -57.77 -50.06 74.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.949 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -65.47 -40.42 93.14 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.863 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.15 -36.16 83.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.747 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 110' ' ' THR . 74.8 ttt180 -65.0 -42.85 94.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.057 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 103' ' ' ALA . 58.1 m80 -64.69 -41.6 95.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.035 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.99 -40.77 88.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.1 mmt -67.27 -31.46 71.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.497 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 106' ' ' ARG . 21.3 p -75.55 -39.09 58.72 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 121.018 0.437 . . . . 0.0 110.339 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.4 -38.84 92.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.039 0.924 . . . . 0.0 108.862 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.41 -39.71 91.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.645 -1.616 . . . . 0.0 111.119 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.56 21.88 7.68 Favored Glycine 0 N--CA 1.464 0.538 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -103.57 136.67 42.85 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -103.42 81.13 1.89 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.954 0.407 . . . . 0.0 110.959 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.617 HD13 ' OE1' ' A' ' 120' ' ' GLU . 3.8 mm? -81.05 155.73 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.062 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 121' ' ' VAL . 15.6 p -103.41 170.45 7.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.602 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -64.77 -40.07 94.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -69.43 -39.43 77.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.796 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.617 ' OE1' HD13 ' A' ' 116' ' ' LEU . 99.0 mt-10 -65.44 -43.29 90.9 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 179.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 102' ' ' ALA . 41.8 t -61.43 -49.15 85.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.052 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.524 ' OD2' ' NH1' ' A' ' 126' ' ' ARG . 19.7 t70 -61.98 -48.04 82.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.051 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.71 -42.09 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.83 0.348 . . . . 0.0 110.702 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.3 ttt -62.57 -42.24 99.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.433 0.635 . . . . 0.0 109.901 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.12 -50.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.263 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.524 ' NH1' ' OD2' ' A' ' 122' ' ' ASP . 71.9 mtt85 -64.83 -37.17 86.71 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.704 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.65 -36.46 80.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.45 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.496 ' HB1' HG21 ' A' ' 144' ' ' VAL . . . -87.29 -20.84 26.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.339 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 126' ' ' ARG . 58.9 m-20 -99.32 127.67 45.36 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . 0.302 0.2 OUTLIER -124.67 -5.42 6.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.972 179.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -95.53 -1.64 50.16 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.44 14.75 50.32 Favored Glycine 0 CA--C 1.525 0.684 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.754 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 134' ' ' GLY . 42.0 p-10 -53.82 -29.07 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.385 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 133' ' ' ASP . . . 88.04 2.63 80.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.43 ' O ' ' OD2' ' A' ' 133' ' ' ASP . 42.8 mt-30 -131.84 148.17 52.53 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.446 HD13 ' OD1' ' A' ' 129' ' ' ASP . 9.5 mm -101.92 113.32 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.18 160.46 23.04 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.467 ' CZ ' ' CG2' ' A' ' 142' ' ' VAL . 60.8 t80 -50.15 -59.16 4.2 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 119.679 -0.808 . . . . 0.0 111.179 -178.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.91 -44.03 39.83 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.993 -179.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.27 -39.91 93.22 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -61.41 -42.34 98.58 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.467 ' CG2' ' CZ ' ' A' ' 138' ' ' TYR . 74.2 t -60.03 -43.79 93.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.446 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.73 -44.55 95.92 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.081 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.496 HG21 ' HB1' ' A' ' 128' ' ' ALA . 96.3 t -69.24 -45.55 79.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.5 tpp -69.6 -41.5 75.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.121 0.486 . . . . 0.0 110.973 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.9 ttp -63.5 -41.79 98.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.691 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -82.22 -1.04 47.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.443 179.885 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_